[2-methoxy-1,3-dimethyl-5-(2-methylbutanoyl)-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-methoxy-1,3-dimethyl-5-(2-methylbutanoyl)-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [4-hydroxy-2-methoxy-1,3-dimethyl-5-(2-methylbutanoyl)-6-oxo-cyclohexa-2,4-dien-1-yl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [4-hydroxy-2-methoxy-1,3-dimethyl-5-(2-methyl-1-oxobutyl)-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [4-hydroxy-2-methoxy-1,3-dimethyl-5-(2-methylbutanoyl)-6-oxocyclohexa-2,4-dien-1-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [4-hydroxy-6-keto-2-methoxy-1,3-dimethyl-5-(2-methylbutanoyl)cyclohexa-2,4-dien-1-yl] ester Formula: C27H35NO8 MolecularWeight: 501.5687

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=C(C(=C(C(C1=O)(C)OC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2)OC)C)O

Isomeric SMILES

CCC(C)C(=O)C1=C(C(=C(C(C1=O)(C)OC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2)OC)C)O

InChI

InChI=1S/C27H35NO8/c1-8-16(4)21(29)19-22(30)17(5)24(34-7)27(6,23(19)31)36-25(32)20(15(2)3)28-26(33)35-14-18-12-10-9-11-13-18/h9-13,15-16,20,30H,8,14H2,1-7H3,(H,28,33)/t16?,20-,27?/m0/s1