(2S,3S)-4-[(4-methylphenyl)amino]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S,3S)-4-[(4-methylphenyl)amino]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: (2S,3S)-2,3-dihydroxy-4-(4-methylanilino)-4-oxo-butanoate CAS Name: (2S,3S)-2,3-dihydroxy-4-(4-methylanilino)-4-oxobutanoate IUPAC Name: (2S,3S)-2,3-dihydroxy-4-(4-methylanilino)-4-oxobutanoate Traditional Name: (2S,3S)-2,3-dihydroxy-4-keto-4-(p-toluidino)butyrate Formula: C11H12NO5- MolecularWeight: 238.21668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C(C(=O)[O-])O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H]([C@@H](C(=O)[O-])O)O

InChI

InChI=1S/C11H13NO5/c1-6-2-4-7(5-3-6)12-10(15)8(13)9(14)11(16)17/h2-5,8-9,13-14H,1H3,(H,12,15)(H,16,17)/p-1/t8-,9-/m0/s1