(3S,6R,9S,12R)-3-[(2S)-butan-2-yl]-9-[6-[6-[(3S,6R,9S,12R)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-2,5,8,11-tetrakis(oxidanylidene)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]hexyldisulfanyl]hexyl]-6-[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Systemtic Name: (3S,6R,9S,12R)-3-[(2S)-butan-2-yl]-9-[6-[6-[(3S,6R,9S,12R)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-2,5,8,11-tetrakis(oxidanylidene)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]hexyldisulfanyl]hexyl]-6-[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone Openeye Name: (3S,6R,9S,12R)-6-[(4-methoxyphenyl)methyl]-9-[6-[6-[(3S,6R,9S,12R)-6-[(4-methoxyphenyl)methyl]-3-[(1S)-1-methylpropyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]hexyldisulfanyl]hexyl]-3-[(1S)-1-methylpropyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone CAS Name: (3S,6R,9S,12R)-3-[(2S)-butan-2-yl]-9-[6-[6-[(3S,6R,9S,12R)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]hexyldisulfanyl]hexyl]-6-[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone IUPAC Name: (3S,6R,9S,12R)-3-[(2S)-butan-2-yl]-9-[6-[6-[(3S,6R,9S,12R)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]hexyldisulfanyl]hexyl]-6-[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone Traditional Name: (3S,6R,9S,12R)-3-[(1S)-1-methylpropyl]-6-p-anisyl-9-[6-[6-[(3S,6R,9S,12R)-2,5,8,11-tetraketo-3-[(1S)-1-methylpropyl]-6-p-anisyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]hexyldisulfanyl]hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-diquinone Formula: C58H86N8O10S2 MolecularWeight: 1119.48104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=C(C=C3)OC)CCCCCCSSCCCCCCC4C(=O)NC(C(=O)NC(C(=O)N5CCCC5C(=O)N4)C(C)CC)CC6=CC=C(C=C6)OC

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC3=CC=C(C=C3)OC)CCCCCCSSCCCCCC[C@H]4C(=O)N[C@@H](C(=O)N[C@H](C(=O)N5CCC[C@@H]5C(=O)N4)[C@@H](C)CC)CC6=CC=C(C=C6)OC

InChI

InChI=1S/C58H86N8O10S2/c1-7-37(3)49-57(73)65-31-17-21-47(65)55(71)59-43(51(67)61-45(53(69)63-49)35-39-23-27-41(75-5)28-24-39)19-13-9-11-15-33-77-78-34-16-12-10-14-20-44-52(68)62-46(36-40-25-29-42(76-6)30-26-40)54(70)64-50(38(4)8-2)58(74)66-32-18-22-48(66)56(72)60-44/h23-30,37-38,43-50H,7-22,31-36H2,1-6H3,(H,59,71)(H,60,72)(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,43-,44-,45+,46+,47+,48+,49-,50-/m0/s1