N-[[(3S,6R)-5-azanyl-6-[(1R,4R,6R)-4,6-bis(azanyl)-3-[(2S,4S,5S)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-3-oxidanyl-oxan-2-yl]methyl]-12-[5-[(4S)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanamide

Systemtic Name: N-[[(3S,6R)-5-azanyl-6-[(1R,4R,6R)-4,6-bis(azanyl)-3-[(2S,4S,5S)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-3-oxidanyl-oxan-2-yl]methyl]-12-[5-[(4S)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanamide Openeye Name: N-[[(3S,6R)-5-amino-6-[(1R,4R,6R)-4,6-diamino-3-[(2S,4S,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-3-hydroxy-tetrahydropyran-2-yl]methyl]-12-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanamide CAS Name: N-[[(3S,6R)-5-amino-6-[(1R,4R,6R)-4,6-diamino-3-[[(2S,4S,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-3-hydroxy-2-oxanyl]methyl]-12-[[1-oxo-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentyl]amino]dodecanamide IUPAC Name: N-[[(3S,6R)-5-amino-6-[(1R,4R,6R)-4,6-diamino-3-[(2S,4S,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3-hydroxyoxan-2-yl]methyl]-12-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanamide Traditional Name: N-[[(3S,6R)-5-amino-6-[(1R,4R,6R)-4,6-diamino-3-[(2S,4S,5S)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-3-hydroxy-tetrahydropyran-2-yl]methyl]-12-[5-[(4S)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]lauramide Formula: C40H74N8O12S MolecularWeight: 891.12696

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CNC(=O)CCCCCCCCCCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)N)N

Isomeric SMILES

C1[C@H]([C@H](C(C([C@@H]1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C(C[C@@H](C(O3)CNC(=O)CCCCCCCCCCCNC(=O)CCCC[C@H]4C5C(CS4)NC(=O)N5)O)N)N

InChI

InChI=1S/C40H74N8O12S/c41-21-16-22(42)37(60-39-34(54)31(44)33(53)27(19-49)58-39)35(55)36(21)59-38-23(43)17-25(50)26(57-38)18-46-30(52)13-8-6-4-2-1-3-5-7-11-15-45-29(51)14-10-9-12-28-32-24(20-61-28)47-40(56)48-32/h21-28,31-39,49-50,53-55H,1-20,41-44H2,(H,45,51)(H,46,52)(H2,47,48,56)/t21-,22-,23?,24?,25+,26?,27?,28+,31+,32?,33-,34?,35?,36-,37?,38-,39-/m1/s1