benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate

C305H506N30O60 — CID 159453540

IUPACbenzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate
SMILESCCCCCCCCCC(=O)C(C(C)C)N(CCCCCCCC)C(=O)CCCCC(=O)C(C(C)C)N(CCCC(=O)N(CCCCCCCC)C(C(=O)NCCCCCCCC)C(C)C)C(=O)CCCNC(=O)C(C(C)C)N(CCCC(=O)N(CCCC(=O)N(CCCCCCCC)C(C(=O)CCCCCCCCC)C(C)C)C(C(=O)NCCCC(=O)N(CCCCCCCC)C(C(=O)NCCCCCCCC)C(C)C)C(C)C)C(=O)CCCN(C(=O)CCCC(=O)N(CCCC(=O)N(CCOCCOCCNC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCNC(=O)OCc1ccccc1)C(C)C)C(C(=O)NCCCC(=O)N(CCOCCOCCNC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCCC(=O)OCc1ccccc1)C(C)C)C(C)C)C(C(=O)NCCCC(=O)N(CCCC(=O)N(CCOCCOCCCC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCNC(=O)OCc1ccccc1)C(C)C)C(C(=O)NCCCC(=O)N(CCOCCOCCNC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCCC(=O)OCc1ccccc1)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C305H506N30O60/c1-37-45-53-61-69-71-103-144-256(336)276(234(9)10)322(180-109-75-65-57-49-41-5)259(339)147-106-105-146-258(338)278(236(13)14)324(184-119-156-268(348)326(183-112-78-68-60-52-44-8)280(238(17)18)291(357)307-165-108-74-64-56-48-40-4)262(342)150-114-166-308-295(361)285(243(27)28)331(189-122-158-270(350)330(188-120-155-267(347)323(181-110-76-66-58-50-42-6)277(235(11)12)257(337)145-104-72-70-62-54-46-38-2)284(242(25)26)296(362)310-167-115-151-263(343)325(182-111-77-67-59-51-43-7)279(237(15)16)290(356)306-164-107-73-63-55-47-39-3)269(349)157-121-185-327(260(340)148-113-149-261(341)328(186-123-159-271(351)335(193-209-387-225-221-383-205-179-321-305(371)395-233-255-142-101-86-102-143-255)289(247(35)36)300(366)316-174-200-378-216-218-380-202-176-318-302(368)392-230-252-136-95-83-96-137-252)282(240(21)22)293(359)311-169-117-153-265(345)332(190-206-385-223-219-381-203-177-319-303(369)393-231-253-138-97-84-98-139-253)286(244(29)30)297(363)313-171-197-375-213-210-372-194-125-161-273(353)388-226-248-128-87-79-88-129-248)281(239(19)20)292(358)309-168-116-152-264(344)329(187-124-160-272(352)334(192-208-384-222-212-374-196-127-163-275(355)390-228-250-132-91-81-92-133-250)288(246(33)34)299(365)315-173-199-377-215-217-379-201-175-317-301(367)391-229-251-134-93-82-94-135-251)283(241(23)24)294(360)312-170-118-154-266(346)333(191-207-386-224-220-382-204-178-320-304(370)394-232-254-140-99-85-100-141-254)287(245(31)32)298(364)314-172-198-376-214-211-373-195-126-162-274(354)389-227-249-130-89-80-90-131-249/h79-102,128-143,234-247,276-289H,37-78,103-127,144-233H2,1-36H3,(H,306,356)(H,307,357)(H,308,361)(H,309,358)(H,310,362)(H,311,359)(H,312,360)(H,313,363)(H,314,364)(H,315,365)(H,316,366)(H,317,367)(H,318,368)(H,319,369)(H,320,370)(H,321,371)
InChIKeyLTRIMAPGGOELCP-UHFFFAOYSA-N
MW5553.55 g/mol
LogP43.14
Rot. Bonds244

About benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate

benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate (PubChem CID 159453540) has the molecular formula C305H506N30O60 and a molecular weight of 5553.55 g/mol. Its IUPAC name is benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Namebenzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate
PubChem CID159453540
Molecular FormulaC305H506N30O60
Molecular Weight5553.55 g/mol
Exact Mass5549.75
IUPAC Namebenzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate
SMILESCCCCCCCCCC(=O)C(C(C)C)N(CCCCCCCC)C(=O)CCCCC(=O)C(C(C)C)N(CCCC(=O)N(CCCCCCCC)C(C(=O)NCCCCCCCC)C(C)C)C(=O)CCCNC(=O)C(C(C)C)N(CCCC(=O)N(CCCC(=O)N(CCCCCCCC)C(C(=O)CCCCCCCCC)C(C)C)C(C(=O)NCCCC(=O)N(CCCCCCCC)C(C(=O)NCCCCCCCC)C(C)C)C(C)C)C(=O)CCCN(C(=O)CCCC(=O)N(CCCC(=O)N(CCOCCOCCNC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCNC(=O)OCc1ccccc1)C(C)C)C(C(=O)NCCCC(=O)N(CCOCCOCCNC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCCC(=O)OCc1ccccc1)C(C)C)C(C)C)C(C(=O)NCCCC(=O)N(CCCC(=O)N(CCOCCOCCCC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCNC(=O)OCc1ccccc1)C(C)C)C(C(=O)NCCCC(=O)N(CCOCCOCCNC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCCC(=O)OCc1ccccc1)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C305H506N30O60/c1-37-45-53-61-69-71-103-144-256(336)276(234(9)10)322(180-109-75-65-57-49-41-5)259(339)147-106-105-146-258(338)278(236(13)14)324(184-119-156-268(348)326(183-112-78-68-60-52-44-8)280(238(17)18)291(357)307-165-108-74-64-56-48-40-4)262(342)150-114-166-308-295(361)285(243(27)28)331(189-122-158-270(350)330(188-120-155-267(347)323(181-110-76-66-58-50-42-6)277(235(11)12)257(337)145-104-72-70-62-54-46-38-2)284(242(25)26)296(362)310-167-115-151-263(343)325(182-111-77-67-59-51-43-7)279(237(15)16)290(356)306-164-107-73-63-55-47-39-3)269(349)157-121-185-327(260(340)148-113-149-261(341)328(186-123-159-271(351)335(193-209-387-225-221-383-205-179-321-305(371)395-233-255-142-101-86-102-143-255)289(247(35)36)300(366)316-174-200-378-216-218-380-202-176-318-302(368)392-230-252-136-95-83-96-137-252)282(240(21)22)293(359)311-169-117-153-265(345)332(190-206-385-223-219-381-203-177-319-303(369)393-231-253-138-97-84-98-139-253)286(244(29)30)297(363)313-171-197-375-213-210-372-194-125-161-273(353)388-226-248-128-87-79-88-129-248)281(239(19)20)292(358)309-168-116-152-264(344)329(187-124-160-272(352)334(192-208-384-222-212-374-196-127-163-275(355)390-228-250-132-91-81-92-133-250)288(246(33)34)299(365)315-173-199-377-215-217-379-201-175-317-301(367)391-229-251-134-93-82-94-135-251)283(241(23)24)294(360)312-170-118-154-266(346)333(191-207-386-224-220-382-204-178-320-304(370)394-232-254-140-99-85-100-141-254)287(245(31)32)298(364)314-172-198-376-214-211-373-195-126-162-274(354)389-227-249-130-89-80-90-131-249/h79-102,128-143,234-247,276-289H,37-78,103-127,144-233H2,1-36H3,(H,306,356)(H,307,357)(H,308,361)(H,309,358)(H,310,362)(H,311,359)(H,312,360)(H,313,363)(H,314,364)(H,315,365)(H,316,366)(H,317,367)(H,318,368)(H,319,369)(H,320,370)(H,321,371)
InChIKeyLTRIMAPGGOELCP-UHFFFAOYSA-N
XLogP43.14
TPSA1073.88 Ų
H-Bond Donors16
H-Bond Acceptors60
Rotatable Bonds244
Heavy Atoms395
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005553.55
LogP ≤ 543.14
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1060

Analyze benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate with MolForge

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Launch Full Analysis

Related Compounds

benzyl 8-methyl-7-[[8-methyl-7-[[8-methyl-7-[[5-[[2-methyl-9-[[3-methyl-1-oxo-1-[(4-oxo-4-phenylmethoxybutyl)amino]butan-2-yl]-(4-oxo-4-prop-2-enoxybutyl)amino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-oxo-1-[(4-oxo-4-phenylmethoxybutyl)amino]butan-2-yl]-(4-oxo-4-prop-2-enoxybutyl)amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[(4-oxo-4-phenylmethoxybutyl)amino]butan-2-yl]-(4-oxo-4-prop-2-enoxybutyl)amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[(4-oxo-4-phenylmethoxybutyl)amino]butan-2-yl]-(4-oxo-4-prop-2-enoxybutyl)amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-6-oxononanoyl]-[4-[[3-methyl-1-oxo-1-[(4-oxo-4-phenylmethoxybutyl)amino]butan-2-yl]-(4-oxo-4-prop-2-enoxybutyl)amino]-4-oxobutyl]amino]-6-oxononanoyl]-(4-oxo-4-prop-2-enoxybutyl)amino]-6-oxononanoate
CID 149426389
butyl 4-(phenylmethoxycarbonylamino)butanoate
CID 102295168
[(2S)-1-[12-(phenylmethoxycarbonylamino)dodecanoyloxy]butan-2-yl] hexadecanoate
CID 70839932
benzyl N-(8-oxopentadecyl)carbamate
CID 123440218
ethyl 2-[(3-ethoxy-3-oxopropyl)amino]-3-oxo-8-(phenylmethoxycarbonylamino)octanoate
CID 68638994
N-[2-(dimethylamino)ethyl]-N-[1-[6-[[2-[2-(dimethylamino)ethyl-hexadecanoylamino]-3-methylbutanoyl]amino]hexylamino]-3-methyl-1-oxobutan-2-yl]hexadecanamide
CID 170530512
benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
CID 178184257
benzyl heptadecanoate
CID 522569
benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate
CID 59544023
butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate
CID 156757449
ethyl (5S)-5-methyl-9-(phenylmethoxycarbonylamino)nonanoate
CID 158070429
N-[3-methyl-1-[2-[2-[2-[[3-methyl-2-[3-morpholin-4-ylpropyl(tetradecanoyl)amino]butanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-N-(3-morpholin-4-ylpropyl)tetradecanamide
CID 167208150

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate?
The IUPAC name of benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate (CID 159453540) is benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate.
What is the SMILES notation for benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate?
The canonical SMILES for benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate is CCCCCCCCCC(=O)C(C(C)C)N(CCCCCCCC)C(=O)CCCCC(=O)C(C(C)C)N(CCCC(=O)N(CCCCCCCC)C(C(=O)NCCCCCCCC)C(C)C)C(=O)CCCNC(=O)C(C(C)C)N(CCCC(=O)N(CCCC(=O)N(CCCCCCCC)C(C(=O)CCCCCCCCC)C(C)C)C(C(=O)NCCCC(=O)N(CCCCCCCC)C(C(=O)NCCCCCCCC)C(C)C)C(C)C)C(=O)CCCN(C(=O)CCCC(=O)N(CCCC(=O)N(CCOCCOCCNC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCNC(=O)OCc1ccccc1)C(C)C)C(C(=O)NCCCC(=O)N(CCOCCOCCNC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCCC(=O)OCc1ccccc1)C(C)C)C(C)C)C(C(=O)NCCCC(=O)N(CCCC(=O)N(CCOCCOCCCC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCNC(=O)OCc1ccccc1)C(C)C)C(C(=O)NCCCC(=O)N(CCOCCOCCNC(=O)OCc1ccccc1)C(C(=O)NCCOCCOCCCC(=O)OCc1ccccc1)C(C)C)C(C)C)C(C)C.
What is the InChIKey of benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate?
The InChIKey is LTRIMAPGGOELCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C305H506N30O60/c1-37-45-53-61-69-71-103-144-256(336)276(234(9)10)322(180-109-75-65-57-49-41-5)259(339)147-106-105-146-258(338)278(236(13)14)324(184-119-156-268(348)326(183-112-78-68-60-52-44-8)280(238(17)18)291(357)307-165-108-74-64-56-48-40-4)262(342)150-114-166-308-295(361)285(243(27)28)331(189-122-158-270(350)330(188-120-155-267(347)323(181-110-76-66-58-50-42-6)277(235(11)12)257(337)145-104-72-70-62-54-46-38-2)284(242(25)26)296(362)310-167-115-151-263(343)325(182-111-77-67-59-51-43-7)279(237(15)16)290(356)306-164-107-73-63-55-47-39-3)269(349)157-121-185-327(260(340)148-113-149-261(341)328(186-123-159-271(351)335(193-209-387-225-221-383-205-179-321-305(371)395-233-255-142-101-86-102-143-255)289(247(35)36)300(366)316-174-200-378-216-218-380-202-176-318-302(368)392-230-252-136-95-83-96-137-252)282(240(21)22)293(359)311-169-117-153-265(345)332(190-206-385-223-219-381-203-177-319-303(369)393-231-253-138-97-84-98-139-253)286(244(29)30)297(363)313-171-197-375-213-210-372-194-125-161-273(353)388-226-248-128-87-79-88-129-248)281(239(19)20)292(358)309-168-116-152-264(344)329(187-124-160-272(352)334(192-208-384-222-212-374-196-127-163-275(355)390-228-250-132-91-81-92-133-250)288(246(33)34)299(365)315-173-199-377-215-217-379-201-175-317-301(367)391-229-251-134-93-82-94-135-251)283(241(23)24)294(360)312-170-118-154-266(346)333(191-207-386-224-220-382-204-178-320-304(370)394-232-254-140-99-85-100-141-254)287(245(31)32)298(364)314-172-198-376-214-211-373-195-126-162-274(354)389-227-249-130-89-80-90-131-249/h79-102,128-143,234-247,276-289H,37-78,103-127,144-233H2,1-36H3,(H,306,356)(H,307,357)(H,308,361)(H,309,358)(H,310,362)(H,311,359)(H,312,360)(H,313,363)(H,314,364)(H,315,365)(H,316,366)(H,317,367)(H,318,368)(H,319,369)(H,320,370)(H,321,371).
What are the key properties of benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate?
benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate has a molecular weight of 5553.55 g/mol, XLogP of 43.14, 244 rotatable bonds, 16 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate is sourced from PubChem (CID 159453540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).