2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide

C205H378Br3N9O82S8 — CID 158503499

IUPAC2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide
SMILESCOCC1C(SCCOCCS)[C@@H](N[C@H]2C(C)O[C@@H](O[C@H]3C(COC)O[C@@H](O[C@H]4C(COC)OC(OC)C(OC)[C@@H]4OC)C(OC)[C@@H]3OC)C(OC)[C@@H]2OC)C(OC)[C@H](OC)[C@H]1CO.COCC1OC(OC2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC1OC(C)C(CC2C(OC)C(OC)C(CO)C(COC)C2SCCOCCSCC(=O)NCCCCCCN(CCCCCCNC(=O)CSCCOCCSC2C(COC)C(CO)C(OC)C(OC)C2NC2C(C)OC(OC3C(COC)OC(OC4C(COC)OC(OC)C(OC)C4OC)C(OC)C3OC)C(OC)C2OC)C(=O)CSCCOCCSC2C(COC)C(CO)C(OC)C(OC)C2NC2C(C)OC(OC3C(COC)OC(OC4C(COC)OC(OC)C(OC)C4OC)C(OC)C3OC)C(OC)C2OC)C(OC)C1OC.O=C(CBr)NCCCCCCN(CCCCCCNC(=O)CBr)C(=O)CBr
InChIInChI=1S/C145H267N5O60S6.C42H79NO19S2.C18H32Br3N3O3/c1-80-83(104(166-13)125(181-28)140(196-80)205-112-94(74-163-10)202-143(131(187-34)122(112)178-25)208-109-91(71-160-7)199-137(190-37)128(184-31)119(109)175-22)64-84-105(167-14)106(168-15)85(65-151)88(68-157-4)134(84)214-61-55-193-52-58-211-77-97(154)146-48-44-40-42-46-50-150(99(156)79-213-60-54-195-57-63-216-136-90(70-159-6)87(67-153)108(170-17)118(174-21)103(136)149-101-82(3)198-142(127(183-30)116(101)172-19)207-114-96(76-165-12)204-145(133(189-36)124(114)180-27)210-111-93(73-162-9)201-139(192-39)130(186-33)121(111)177-24)51-47-43-41-45-49-147-98(155)78-212-59-53-194-56-62-215-135-89(69-158-5)86(66-152)107(169-16)117(173-20)102(135)148-100-81(2)197-141(126(182-29)115(100)171-18)206-113-95(75-164-11)203-144(132(188-35)123(113)179-26)209-110-92(72-161-8)200-138(191-38)129(185-32)120(110)176-23;1-22-27(43-28-33(50-7)29(48-5)23(18-44)24(19-45-2)39(28)64-17-15-57-14-16-63)32(49-6)36(53-10)41(58-22)61-31-26(21-47-4)60-42(38(55-12)35(31)52-9)62-30-25(20-46-3)59-40(56-13)37(54-11)34(30)51-8;19-13-16(25)22-9-5-1-3-7-11-24(18(27)15-21)12-8-4-2-6-10-23-17(26)14-20/h80-96,100-145,148-149,151-153H,40-79H2,1-39H3,(H,146,154)(H,147,155);22-44,63H,14-21H2,1-13H3;1-15H2,(H,22,25)(H,23,26)/t;22?,23-,24?,25?,26?,27-,28-,29+,30-,31-,32+,33?,34+,35+,36?,37?,38?,39?,40?,41-,42-;/m.0./s1
InChIKeyHKEPNXQLUNFRKZ-REVVVPSTSA-N
MW4777.51 g/mol
LogP7.35
Rot. Bonds152

About 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide

2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide (PubChem CID 158503499) has the molecular formula C205H378Br3N9O82S8 and a molecular weight of 4777.51 g/mol. Its IUPAC name is 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide
PubChem CID158503499
Molecular FormulaC205H378Br3N9O82S8
Molecular Weight4777.51 g/mol
Exact Mass4771.10
IUPAC Name2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide
SMILESCOCC1C(SCCOCCS)[C@@H](N[C@H]2C(C)O[C@@H](O[C@H]3C(COC)O[C@@H](O[C@H]4C(COC)OC(OC)C(OC)[C@@H]4OC)C(OC)[C@@H]3OC)C(OC)[C@@H]2OC)C(OC)[C@H](OC)[C@H]1CO.COCC1OC(OC2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC1OC(C)C(CC2C(OC)C(OC)C(CO)C(COC)C2SCCOCCSCC(=O)NCCCCCCN(CCCCCCNC(=O)CSCCOCCSC2C(COC)C(CO)C(OC)C(OC)C2NC2C(C)OC(OC3C(COC)OC(OC4C(COC)OC(OC)C(OC)C4OC)C(OC)C3OC)C(OC)C2OC)C(=O)CSCCOCCSC2C(COC)C(CO)C(OC)C(OC)C2NC2C(C)OC(OC3C(COC)OC(OC4C(COC)OC(OC)C(OC)C4OC)C(OC)C3OC)C(OC)C2OC)C(OC)C1OC.O=C(CBr)NCCCCCCN(CCCCCCNC(=O)CBr)C(=O)CBr
InChIInChI=1S/C145H267N5O60S6.C42H79NO19S2.C18H32Br3N3O3/c1-80-83(104(166-13)125(181-28)140(196-80)205-112-94(74-163-10)202-143(131(187-34)122(112)178-25)208-109-91(71-160-7)199-137(190-37)128(184-31)119(109)175-22)64-84-105(167-14)106(168-15)85(65-151)88(68-157-4)134(84)214-61-55-193-52-58-211-77-97(154)146-48-44-40-42-46-50-150(99(156)79-213-60-54-195-57-63-216-136-90(70-159-6)87(67-153)108(170-17)118(174-21)103(136)149-101-82(3)198-142(127(183-30)116(101)172-19)207-114-96(76-165-12)204-145(133(189-36)124(114)180-27)210-111-93(73-162-9)201-139(192-39)130(186-33)121(111)177-24)51-47-43-41-45-49-147-98(155)78-212-59-53-194-56-62-215-135-89(69-158-5)86(66-152)107(169-16)117(173-20)102(135)148-100-81(2)197-141(126(182-29)115(100)171-18)206-113-95(75-164-11)203-144(132(188-35)123(113)179-26)209-110-92(72-161-8)200-138(191-38)129(185-32)120(110)176-23;1-22-27(43-28-33(50-7)29(48-5)23(18-44)24(19-45-2)39(28)64-17-15-57-14-16-63)32(49-6)36(53-10)41(58-22)61-31-26(21-47-4)60-42(38(55-12)35(31)52-9)62-30-25(20-46-3)59-40(56-13)37(54-11)34(30)51-8;19-13-16(25)22-9-5-1-3-7-11-24(18(27)15-21)12-8-4-2-6-10-23-17(26)14-20/h80-96,100-145,148-149,151-153H,40-79H2,1-39H3,(H,146,154)(H,147,155);22-44,63H,14-21H2,1-13H3;1-15H2,(H,22,25)(H,23,26)/t;22?,23-,24?,25?,26?,27-,28-,29+,30-,31-,32+,33?,34+,35+,36?,37?,38?,39?,40?,41-,42-;/m.0./s1
InChIKeyHKEPNXQLUNFRKZ-REVVVPSTSA-N
XLogP7.35
TPSA938.59 Ų
H-Bond Donors12
H-Bond Acceptors93
Rotatable Bonds152
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004777.51
LogP ≤ 57.35
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1093

Analyze 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

(3S,5R,6S)-3-[[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3S,4R,6R)-6-[(3S,4R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2-[2-[2-[(3R,4R,6R)-2-hydroxy-6-[[(3R,4S,6R)-6-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(3R,4S,6S)-6-[(3R,4R,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-3,4,5-trimethoxy-2-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]-6-(hydroxymethyl)-4,5-dimethoxy-1-(methoxymethyl)cyclohexan-1-ol
CID 161245751
2-amino-N-[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[[(1R,4R,5S)-4-(hydroxymethyl)-5,6-dimethoxy-3-(methoxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]acetamide
CID 58372995
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798414
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798413
(2S)-2-[[4-[[(3S,4S,6S)-4,5-dimethoxy-3-methyl-6-[(3S,4S,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-2-yl]methylamino]-4-oxobutanoyl]amino]-N,N'-didodecylbutanediamide
CID 58899260
methyl (2R,3S,4S,5S,6S)-3,4,5-trimethoxy-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane-2-carboxylate
CID 91699153
N-[[(3S,4S,6S)-4,5-dimethoxy-3-methyl-6-[(3S,4S,6R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl]-N'-[(2S)-1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]butanediamide
CID 58899229
2-ethoxyethyl N,N-bis[2-[6-[2,6-bis[[2-[2-[2-[2-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethoxy]ethoxy]ethylsulfanyl]acetyl]amino]hexanoylamino]hexanoylamino]ethyl]carbamate
CID 21340505
N-[(4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5R)-5-acetamido-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]-4-oxohex-5-ynamide
CID 123818064
9H-fluoren-9-ylmethyl N-[2-[4,6-diacetamido-3-[6-[[[2-[2-[2-[2-[[6-[4,6-diacetamido-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-2-methoxycyclohexyl]oxy-5-(hydroxymethyl)-3,4-dimethoxyoxan-2-yl]methylamino]-2-oxoethyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]methyl]-4,5-bis(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)cyclohexyl]oxy-3-(hydroxymethyl)-5-methoxy-6-(methoxymethyl)oxan-4-yl]carbamate
CID 58373004
9H-fluoren-9-ylmethyl 4-[[(4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5R)-5-[2-[[2-[[2-[[(4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5R)-5-[[2-[2-[[2-[[(4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5R)-5-[(2-acetylsulfanylacetyl)amino]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanylacetyl]amino]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanylmethyl]prop-2-enylamino]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-4-oxobutanoate
CID 123945239
2-[2-[2-[2-[2-[2,5-dioxo-1-(4-oxooctyl)pyrrolidin-3-yl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[5-[(2R,3R,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-2-ethyl-6-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-ethyl-6-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxypentoxy]ethoxy]ethyl]acetamide
CID 59739711

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide?
The IUPAC name of 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide (CID 158503499) is 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide.
What is the SMILES notation for 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide?
The canonical SMILES for 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide is COCC1C(SCCOCCS)[C@@H](N[C@H]2C(C)O[C@@H](O[C@H]3C(COC)O[C@@H](O[C@H]4C(COC)OC(OC)C(OC)[C@@H]4OC)C(OC)[C@@H]3OC)C(OC)[C@@H]2OC)C(OC)[C@H](OC)[C@H]1CO.COCC1OC(OC2C(COC)OC(OC)C(OC)C2OC)C(OC)C(OC)C1OC1OC(C)C(CC2C(OC)C(OC)C(CO)C(COC)C2SCCOCCSCC(=O)NCCCCCCN(CCCCCCNC(=O)CSCCOCCSC2C(COC)C(CO)C(OC)C(OC)C2NC2C(C)OC(OC3C(COC)OC(OC4C(COC)OC(OC)C(OC)C4OC)C(OC)C3OC)C(OC)C2OC)C(=O)CSCCOCCSC2C(COC)C(CO)C(OC)C(OC)C2NC2C(C)OC(OC3C(COC)OC(OC4C(COC)OC(OC)C(OC)C4OC)C(OC)C3OC)C(OC)C2OC)C(OC)C1OC.O=C(CBr)NCCCCCCN(CCCCCCNC(=O)CBr)C(=O)CBr.
What is the InChIKey of 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide?
The InChIKey is HKEPNXQLUNFRKZ-REVVVPSTSA-N. The full InChI is InChI=1S/C145H267N5O60S6.C42H79NO19S2.C18H32Br3N3O3/c1-80-83(104(166-13)125(181-28)140(196-80)205-112-94(74-163-10)202-143(131(187-34)122(112)178-25)208-109-91(71-160-7)199-137(190-37)128(184-31)119(109)175-22)64-84-105(167-14)106(168-15)85(65-151)88(68-157-4)134(84)214-61-55-193-52-58-211-77-97(154)146-48-44-40-42-46-50-150(99(156)79-213-60-54-195-57-63-216-136-90(70-159-6)87(67-153)108(170-17)118(174-21)103(136)149-101-82(3)198-142(127(183-30)116(101)172-19)207-114-96(76-165-12)204-145(133(189-36)124(114)180-27)210-111-93(73-162-9)201-139(192-39)130(186-33)121(111)177-24)51-47-43-41-45-49-147-98(155)78-212-59-53-194-56-62-215-135-89(69-158-5)86(66-152)107(169-16)117(173-20)102(135)148-100-81(2)197-141(126(182-29)115(100)171-18)206-113-95(75-164-11)203-144(132(188-35)123(113)179-26)209-110-92(72-161-8)200-138(191-38)129(185-32)120(110)176-23;1-22-27(43-28-33(50-7)29(48-5)23(18-44)24(19-45-2)39(28)64-17-15-57-14-16-63)32(49-6)36(53-10)41(58-22)61-31-26(21-47-4)60-42(38(55-12)35(31)52-9)62-30-25(20-46-3)59-40(56-13)37(54-11)34(30)51-8;19-13-16(25)22-9-5-1-3-7-11-24(18(27)15-21)12-8-4-2-6-10-23-17(26)14-20/h80-96,100-145,148-149,151-153H,40-79H2,1-39H3,(H,146,154)(H,147,155);22-44,63H,14-21H2,1-13H3;1-15H2,(H,22,25)(H,23,26)/t;22?,23-,24?,25?,26?,27-,28-,29+,30-,31-,32+,33?,34+,35+,36?,37?,38?,39?,40?,41-,42-;/m.0./s1.
What are the key properties of 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide?
2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide has a molecular weight of 4777.51 g/mol, XLogP of 7.35, 152 rotatable bonds, 12 hydrogen bond donors, and 93 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-[(2-bromoacetyl)-[6-[(2-bromoacetyl)amino]hexyl]amino]hexyl]acetamide;[(1R,2R,4S)-4-[[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(3S,4R)-4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-2,3-dimethoxy-6-(methoxymethyl)-5-[2-(2-sulfanylethoxy)ethylsulfanyl]cyclohexyl]methanol;N-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]-[6-[[2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]hexyl]amino]hexyl]-2-[2-[2-[2-[[6-[4,5-dimethoxy-2-(methoxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]methyl]-5-(hydroxymethyl)-3,4-dimethoxy-6-(methoxymethyl)cyclohexyl]sulfanylethoxy]ethylsulfanyl]acetamide is sourced from PubChem (CID 158503499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).