(2R)-4-[(3-ethanoylphenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2R)-4-[(3-ethanoylphenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-4-(3-acetylanilino)-2-(benzylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-acetylanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-4-(3-acetylanilino)-2-(benzylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-acetylanilino)-2-(benzylammonio)-4-keto-butyrate Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O4/c1-13(22)15-8-5-9-16(10-15)21-18(23)11-17(19(24)25)20-12-14-6-3-2-4-7-14/h2-10,17,20H,11-12H2,1H3,(H,21,23)(H,24,25)/t17-/m1/s1