[3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[[C-[benzyloxycarbonyl(benzyloxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[[[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]thio]-[[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]imino]methyl]amino]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[[C-[[benzyloxycarbonylamino(carbobenzoxy)amino]thio]-N-[9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbonimidoyl]amino]tetrahydropyran-2-yl]methyl ester Formula: C51H56N4O17S2 MolecularWeight: 1061.13694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)SN(C(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)NC(=NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)SN(C(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C51H56N4O17S2/c1-28(56)66-27-40-44(69-29(2)57)46(70-30(3)58)47(71-31(4)59)48(72-40)53-49(74-55(51(62)68-26-33-17-13-10-14-18-33)54-50(61)67-25-32-15-11-9-12-16-32)52-37-21-19-34-23-39(63-5)43(64-6)45(65-7)42(34)35-20-22-41(73-8)38(60)24-36(35)37/h9-18,20,22-24,37,40,44,46-48H,19,21,25-27H2,1-8H3,(H,52,53)(H,54,61)