[(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-2-yl] N,N-dimethylcarbamate; (2R,3R)-2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-2-yl] N,N-dimethylcarbamate; (2R,3R)-2,3-bis(oxidanyl)butanedioic acid Openeye Name: [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] N,N-dimethylcarbamate; (2R,3R)-2,3-dihydroxybutanedioic acid CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; N,N-dimethylcarbamic acid [(7S)-7-acetamido-1,3-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester IUPAC Name: [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] N,N-dimethylcarbamate; (2R,3R)-2,3-dihydroxybutanedioic acid Traditional Name: (2R,3R)-2,3-dihydroxysuccinic acid; N,N-dimethylcarbamic acid [(7S)-7-acetamido-9-keto-1,3-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester Formula: C28H34N2O12S MolecularWeight: 622.64076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC(=O)N(C)C)OC.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC(=O)N(C)C)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C24H28N2O6S.C4H6O6/c1-13(27)25-17-9-7-14-11-19(30-4)22(32-24(29)26(2)3)23(31-5)21(14)15-8-10-20(33-6)18(28)12-16(15)17;5-1(3(7)8)2(6)4(9)10/h8,10-12,17H,7,9H2,1-6H3,(H,25,27);1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m01/s1