(2R,3S)-2-acetyloxy-3-oxidanyl-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (2R,3S)-2-acetyloxy-3-oxidanyl-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2R,3S)-2-acetoxy-4-anilino-3-hydroxy-4-oxo-butanoate CAS Name: (2R,3S)-2-acetyloxy-4-anilino-3-hydroxy-4-oxobutanoate IUPAC Name: (2R,3S)-2-acetyloxy-4-anilino-3-hydroxy-4-oxobutanoate Traditional Name: (2R,3S)-2-acetoxy-4-anilino-3-hydroxy-4-keto-butyrate Formula: C12H12NO6- MolecularWeight: 266.22678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C(=O)NC1=CC=CC=C1)O)C(=O)[O-]

Isomeric SMILES

CC(=O)O[C@H]([C@@H](C(=O)NC1=CC=CC=C1)O)C(=O)[O-]

InChI

InChI=1S/C12H13NO6/c1-7(14)19-10(12(17)18)9(15)11(16)13-8-5-3-2-4-6-8/h2-6,9-10,15H,1H3,(H,13,16)(H,17,18)/p-1/t9-,10+/m0/s1