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

Systemtic Name: [(1S)-5-ethanoyl-2-methoxy-1-methyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [(1S)-5-acetyl-4-hydroxy-2-methoxy-1-methyl-6-oxo-cyclohexa-2,4-dien-1-yl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [(1S)-5-acetyl-4-hydroxy-2-methoxy-1-methyl-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [(1S)-5-acetyl-4-hydroxy-2-methoxy-1-methyl-6-oxocyclohexa-2,4-dien-1-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [(1S)-5-acetyl-4-hydroxy-6-keto-2-methoxy-1-methyl-cyclohexa-2,4-dien-1-yl] ester Formula: C23H27NO8 MolecularWeight: 445.46238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1(C(=CC(=C(C1=O)C(=O)C)O)OC)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)O[C@]1(C(=CC(=C(C1=O)C(=O)C)O)OC)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27NO8/c1-13(2)19(24-22(29)31-12-15-9-7-6-8-10-15)21(28)32-23(4)17(30-5)11-16(26)18(14(3)25)20(23)27/h6-11,13,19,26H,12H2,1-5H3,(H,24,29)/t19-,23-/m0/s1