2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate

C239H496N69O81P23 — CID 160958024

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
SMILESCC(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)CCC(CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CCCN=C(N)N)C(=O)NCC(=O)C1C[C@@H](COP(=O)(N(C)C)N2C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(N(C)C)N8C[C@@H](COP(=O)(N(C)C)N9C[C@@H](COP(=O)(N(C)C)N%10C[C@@H](COP(=O)(N(C)C)N%11C[C@@H](COP(=O)(N(C)C)N%12C[C@@H](COP(=O)(N(C)C)N%13C[C@@H](COP(=O)(N(C)C)N%14C[C@@H](COP(=O)(N(C)C)N%15C[C@@H](COP(=O)(N(C)C)N%16C[C@@H](COP(=O)(N(C)C)N%17C[C@@H](COP(=O)(N(C)C)N%18C[C@@H](COP(=O)(N(C)C)N%19C[C@@H](COP(=O)(N(C)C)N%20C[C@@H](COP(=O)(N(C)C)N%21C[C@@H](COP(=O)(N(C)C)N%22C[C@@H](COP(=O)(N(C)C)N%23C[C@@H](COP(=O)(N(C)C)N%24CCN(C(=O)OCCOCCOCCO)CC%24)O[C@@H](C)C%23)O[C@@H](C)C%22)O[C@@H](C)C%21)O[C@@H](C)C%20)O[C@@H](C)C%19)O[C@@H](C)C%18)O[C@@H](C)C%17)O[C@@H](C)C%16)O[C@@H](C)C%15)O[C@@H](C)C%14)O[C@@H](C)C%13)O[C@@H](C)C%12)O[C@@H](C)C%11)O[C@@H](C)C%10)O[C@@H](C)C9)O[C@@H](C)C8)O[C@@H](C)C7)O[C@@H](C)C6)O[C@@H](C)C5)O[C@@H](C)C4)O[C@@H](C)C3)O[C@@H](C)C2)O[C@@H](C)C1
InChIInChI=1S/C239H496N69O81P23/c1-173-101-200(229(313)105-258-230(314)198(78-72-86-253-234(242)243)103-228(312)226(82-76-90-257-238(250)251)261-231(315)197(77-71-85-252-233(240)241)83-84-201(80-74-88-255-236(246)247)260-232(316)199(79-73-87-254-235(244)245)104-227(311)225(259-196(24)310)81-75-89-256-237(248)249)102-202(367-173)150-344-391(319,263(27)28)287-106-174(2)369-204(129-287)152-346-393(321,265(31)32)289-108-176(4)371-206(131-289)154-348-395(323,267(35)36)291-110-178(6)373-208(133-291)156-350-397(325,269(39)40)293-112-180(8)375-210(135-293)158-352-399(327,271(43)44)295-114-182(10)377-212(137-295)160-354-401(329,273(47)48)297-116-184(12)379-214(139-297)162-356-403(331,275(51)52)299-118-186(14)381-216(141-299)164-358-405(333,277(55)56)301-120-188(16)383-218(143-301)166-360-407(335,279(59)60)303-122-190(18)385-220(145-303)168-362-409(337,281(63)64)305-124-192(20)387-222(147-305)170-364-411(339,283(67)68)307-126-194(22)389-224(149-307)172-366-412(340,284(69)70)308-127-195(23)388-223(148-308)171-365-410(338,282(65)66)306-125-193(21)386-221(146-306)169-363-408(336,280(61)62)304-123-191(19)384-219(144-304)167-361-406(334,278(57)58)302-121-189(17)382-217(142-302)165-359-404(332,276(53)54)300-119-187(15)380-215(140-300)163-357-402(330,274(49)50)298-117-185(13)378-213(138-298)161-355-400(328,272(45)46)296-115-183(11)376-211(136-296)159-353-398(326,270(41)42)294-113-181(9)374-209(134-294)157-351-396(324,268(37)38)292-111-179(7)372-207(132-292)155-349-394(322,266(33)34)290-109-177(5)370-205(130-290)153-347-392(320,264(29)30)288-107-175(3)368-203(128-288)151-345-390(318,262(25)26)286-93-91-285(92-94-286)239(317)343-100-99-342-98-97-341-96-95-309/h173-195,197-226,309H,71-172H2,1-70H3,(H,258,314)(H,259,310)(H,260,316)(H,261,315)(H4,240,241,252)(H4,242,243,253)(H4,244,245,254)(H4,246,247,255)(H4,248,249,256)(H4,250,251,257)/t173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,197?,198+,199+,200?,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,390?,391?,392?,393?,394?,395?,396?,397?,398?,399?,400?,401?,402?,403?,404?,405?,406?,407?,408?,409?,410?,411?,412?/m0/s1
InChIKeySWQNYDCDBJBFOR-VBIOXRFQSA-N
MW6345.40 g/mol
LogP12.73
Rot. Bonds165

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate (PubChem CID 160958024) has the molecular formula C239H496N69O81P23 and a molecular weight of 6345.40 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
PubChem CID160958024
Molecular FormulaC239H496N69O81P23
Molecular Weight6345.40 g/mol
Exact Mass6342.08
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
SMILESCC(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)CCC(CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CCCN=C(N)N)C(=O)NCC(=O)C1C[C@@H](COP(=O)(N(C)C)N2C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(N(C)C)N8C[C@@H](COP(=O)(N(C)C)N9C[C@@H](COP(=O)(N(C)C)N%10C[C@@H](COP(=O)(N(C)C)N%11C[C@@H](COP(=O)(N(C)C)N%12C[C@@H](COP(=O)(N(C)C)N%13C[C@@H](COP(=O)(N(C)C)N%14C[C@@H](COP(=O)(N(C)C)N%15C[C@@H](COP(=O)(N(C)C)N%16C[C@@H](COP(=O)(N(C)C)N%17C[C@@H](COP(=O)(N(C)C)N%18C[C@@H](COP(=O)(N(C)C)N%19C[C@@H](COP(=O)(N(C)C)N%20C[C@@H](COP(=O)(N(C)C)N%21C[C@@H](COP(=O)(N(C)C)N%22C[C@@H](COP(=O)(N(C)C)N%23C[C@@H](COP(=O)(N(C)C)N%24CCN(C(=O)OCCOCCOCCO)CC%24)O[C@@H](C)C%23)O[C@@H](C)C%22)O[C@@H](C)C%21)O[C@@H](C)C%20)O[C@@H](C)C%19)O[C@@H](C)C%18)O[C@@H](C)C%17)O[C@@H](C)C%16)O[C@@H](C)C%15)O[C@@H](C)C%14)O[C@@H](C)C%13)O[C@@H](C)C%12)O[C@@H](C)C%11)O[C@@H](C)C%10)O[C@@H](C)C9)O[C@@H](C)C8)O[C@@H](C)C7)O[C@@H](C)C6)O[C@@H](C)C5)O[C@@H](C)C4)O[C@@H](C)C3)O[C@@H](C)C2)O[C@@H](C)C1
InChIInChI=1S/C239H496N69O81P23/c1-173-101-200(229(313)105-258-230(314)198(78-72-86-253-234(242)243)103-228(312)226(82-76-90-257-238(250)251)261-231(315)197(77-71-85-252-233(240)241)83-84-201(80-74-88-255-236(246)247)260-232(316)199(79-73-87-254-235(244)245)104-227(311)225(259-196(24)310)81-75-89-256-237(248)249)102-202(367-173)150-344-391(319,263(27)28)287-106-174(2)369-204(129-287)152-346-393(321,265(31)32)289-108-176(4)371-206(131-289)154-348-395(323,267(35)36)291-110-178(6)373-208(133-291)156-350-397(325,269(39)40)293-112-180(8)375-210(135-293)158-352-399(327,271(43)44)295-114-182(10)377-212(137-295)160-354-401(329,273(47)48)297-116-184(12)379-214(139-297)162-356-403(331,275(51)52)299-118-186(14)381-216(141-299)164-358-405(333,277(55)56)301-120-188(16)383-218(143-301)166-360-407(335,279(59)60)303-122-190(18)385-220(145-303)168-362-409(337,281(63)64)305-124-192(20)387-222(147-305)170-364-411(339,283(67)68)307-126-194(22)389-224(149-307)172-366-412(340,284(69)70)308-127-195(23)388-223(148-308)171-365-410(338,282(65)66)306-125-193(21)386-221(146-306)169-363-408(336,280(61)62)304-123-191(19)384-219(144-304)167-361-406(334,278(57)58)302-121-189(17)382-217(142-302)165-359-404(332,276(53)54)300-119-187(15)380-215(140-300)163-357-402(330,274(49)50)298-117-185(13)378-213(138-298)161-355-400(328,272(45)46)296-115-183(11)376-211(136-296)159-353-398(326,270(41)42)294-113-181(9)374-209(134-294)157-351-396(324,268(37)38)292-111-179(7)372-207(132-292)155-349-394(322,266(33)34)290-109-177(5)370-205(130-290)153-347-392(320,264(29)30)288-107-175(3)368-203(128-288)151-345-390(318,262(25)26)286-93-91-285(92-94-286)239(317)343-100-99-342-98-97-341-96-95-309/h173-195,197-226,309H,71-172H2,1-70H3,(H,258,314)(H,259,310)(H,260,316)(H,261,315)(H4,240,241,252)(H4,242,243,253)(H4,244,245,254)(H4,246,247,255)(H4,248,249,256)(H4,250,251,257)/t173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,197?,198+,199+,200?,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,390?,391?,392?,393?,394?,395?,396?,397?,398?,399?,400?,401?,402?,403?,404?,405?,406?,407?,408?,409?,410?,411?,412?/m0/s1
InChIKeySWQNYDCDBJBFOR-VBIOXRFQSA-N
XLogP12.73
TPSA1588.47 Ų
H-Bond Donors17
H-Bond Acceptors87
Rotatable Bonds165
Heavy Atoms412
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006345.40
LogP ≤ 512.73
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1087

Analyze 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate with MolForge

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane
CID 159472683
N-[8-[4-[[4-[[4-[(4-acetyl-6-methylmorpholin-2-yl)methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazin-1-yl]-1-(diaminomethylideneamino)-5,8-dioxooctan-4-yl]acetamide
CID 164962104
potassium;12-(diaminomethylideneamino)-9-[[8-(diaminomethylideneamino)-5-[[5-(diaminomethylideneamino)-2-[[8-(diaminomethylideneamino)-5-[[5-(diaminomethylideneamino)-2-[[8-(diaminomethylideneamino)-5-[[5-(diaminomethylideneamino)-2-[[8-(diaminomethylideneamino)-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-4-oxooctanoyl]amino]pentanoyl]amino]-4-oxooctanoyl]amino]pentanoyl]amino]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;hydride;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[[5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-2,5-bis[3-(diaminomethylideneamino)propyl]-4,7-dioxooctanoyl]amino]-2,5-bis[3-(diaminomethylideneamino)propyl]-4,7-dioxooctanoyl]amino]-2,5-bis[3-(diaminomethylideneamino)propyl]-4,7-dioxooctanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxopentanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane
CID 165108593
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
CID 149418489
2-hydroxyethyl 4-[[4-[[4-[[4-[10-[[5-[[5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxopentanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
CID 159827648
azane;bis(diiodovanadium);2-[8-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-4-(methylamino)-5,8-dioxooctyl]guanidine;2-hydroxyethyl 4-[[4-[[4-[[4-[2-[[5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]acetyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane
CID 159917041
2-benzyl-N-[1-(diaminomethylideneamino)-8-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-5,8-dioxooctan-4-yl]-5-[[5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxo-6-phenylhexanamide
CID 162200114
12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide
CID 164948921
(2R,5S)-5-acetamido-8-(1-aminoethylideneamino)-N-[(4S,7R)-7-[[(4S,7R)-1,10-bis(diaminomethylideneamino)-7-[(3-methyl-2-oxobutyl)carbamoyl]-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanamide;(2R,5S)-5-acetamido-N-[(4S,7R)-7-[[(4S,7R)-1,10-bis(diaminomethylideneamino)-7-[(3-methyl-2-oxobutyl)carbamoyl]-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanamide;methane
CID 158614427
5-benzyl-N-[5-benzyl-8-[[5-benzyl-6-[[1-carbamimidamido-5,12-dioxo-12-(3-oxobutylamino)dodecan-4-yl]amino]-3,6-dioxo-1-phenylhexan-2-yl]carbamoyl]-11-carbamimidamido-3,6-dioxo-1-phenylundecan-2-yl]-8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2-(3-carbamimidamidopropyl)-4,7-dioxo-9-phenylnonanamide;1-[[2-[[dimethylamino-[2-[[dimethylamino-(4-methylpiperazin-1-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-[(4,6-dimethylmorpholin-2-yl)methoxy]phosphoryl]-N-methylmethanamine
CID 158026822
(2R,5S)-8-(diaminomethylideneamino)-5-[[(2R,5S)-8-(diaminomethylideneamino)-5-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoic acid
CID 160723229
5-[[5-[acetyl(2-methoxyethyl)amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxopentanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanamide
CID 162038502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate (CID 160958024) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate is CC(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)CCC(CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C[C@@H](CCCN=C(N)N)C(=O)NCC(=O)C1C[C@@H](COP(=O)(N(C)C)N2C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(N(C)C)N8C[C@@H](COP(=O)(N(C)C)N9C[C@@H](COP(=O)(N(C)C)N%10C[C@@H](COP(=O)(N(C)C)N%11C[C@@H](COP(=O)(N(C)C)N%12C[C@@H](COP(=O)(N(C)C)N%13C[C@@H](COP(=O)(N(C)C)N%14C[C@@H](COP(=O)(N(C)C)N%15C[C@@H](COP(=O)(N(C)C)N%16C[C@@H](COP(=O)(N(C)C)N%17C[C@@H](COP(=O)(N(C)C)N%18C[C@@H](COP(=O)(N(C)C)N%19C[C@@H](COP(=O)(N(C)C)N%20C[C@@H](COP(=O)(N(C)C)N%21C[C@@H](COP(=O)(N(C)C)N%22C[C@@H](COP(=O)(N(C)C)N%23C[C@@H](COP(=O)(N(C)C)N%24CCN(C(=O)OCCOCCOCCO)CC%24)O[C@@H](C)C%23)O[C@@H](C)C%22)O[C@@H](C)C%21)O[C@@H](C)C%20)O[C@@H](C)C%19)O[C@@H](C)C%18)O[C@@H](C)C%17)O[C@@H](C)C%16)O[C@@H](C)C%15)O[C@@H](C)C%14)O[C@@H](C)C%13)O[C@@H](C)C%12)O[C@@H](C)C%11)O[C@@H](C)C%10)O[C@@H](C)C9)O[C@@H](C)C8)O[C@@H](C)C7)O[C@@H](C)C6)O[C@@H](C)C5)O[C@@H](C)C4)O[C@@H](C)C3)O[C@@H](C)C2)O[C@@H](C)C1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
The InChIKey is SWQNYDCDBJBFOR-VBIOXRFQSA-N. The full InChI is InChI=1S/C239H496N69O81P23/c1-173-101-200(229(313)105-258-230(314)198(78-72-86-253-234(242)243)103-228(312)226(82-76-90-257-238(250)251)261-231(315)197(77-71-85-252-233(240)241)83-84-201(80-74-88-255-236(246)247)260-232(316)199(79-73-87-254-235(244)245)104-227(311)225(259-196(24)310)81-75-89-256-237(248)249)102-202(367-173)150-344-391(319,263(27)28)287-106-174(2)369-204(129-287)152-346-393(321,265(31)32)289-108-176(4)371-206(131-289)154-348-395(323,267(35)36)291-110-178(6)373-208(133-291)156-350-397(325,269(39)40)293-112-180(8)375-210(135-293)158-352-399(327,271(43)44)295-114-182(10)377-212(137-295)160-354-401(329,273(47)48)297-116-184(12)379-214(139-297)162-356-403(331,275(51)52)299-118-186(14)381-216(141-299)164-358-405(333,277(55)56)301-120-188(16)383-218(143-301)166-360-407(335,279(59)60)303-122-190(18)385-220(145-303)168-362-409(337,281(63)64)305-124-192(20)387-222(147-305)170-364-411(339,283(67)68)307-126-194(22)389-224(149-307)172-366-412(340,284(69)70)308-127-195(23)388-223(148-308)171-365-410(338,282(65)66)306-125-193(21)386-221(146-306)169-363-408(336,280(61)62)304-123-191(19)384-219(144-304)167-361-406(334,278(57)58)302-121-189(17)382-217(142-302)165-359-404(332,276(53)54)300-119-187(15)380-215(140-300)163-357-402(330,274(49)50)298-117-185(13)378-213(138-298)161-355-400(328,272(45)46)296-115-183(11)376-211(136-296)159-353-398(326,270(41)42)294-113-181(9)374-209(134-294)157-351-396(324,268(37)38)292-111-179(7)372-207(132-292)155-349-394(322,266(33)34)290-109-177(5)370-205(130-290)153-347-392(320,264(29)30)288-107-175(3)368-203(128-288)151-345-390(318,262(25)26)286-93-91-285(92-94-286)239(317)343-100-99-342-98-97-341-96-95-309/h173-195,197-226,309H,71-172H2,1-70H3,(H,258,314)(H,259,310)(H,260,316)(H,261,315)(H4,240,241,252)(H4,242,243,253)(H4,244,245,254)(H4,246,247,255)(H4,248,249,256)(H4,250,251,257)/t173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,197?,198+,199+,200?,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,390?,391?,392?,393?,394?,395?,396?,397?,398?,399?,400?,401?,402?,403?,404?,405?,406?,407?,408?,409?,410?,411?,412?/m0/s1.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate has a molecular weight of 6345.40 g/mol, XLogP of 12.73, 165 rotatable bonds, 17 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate is sourced from PubChem (CID 160958024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).