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

Systemtic Name: (2R)-4-[(4-acetamidophenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-4-(4-acetamidoanilino)-2-(benzylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-acetamidoanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-4-(4-acetamidoanilino)-2-(benzylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-acetamidoanilino)-2-(benzylammonio)-4-keto-butyrate Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O4/c1-13(23)21-15-7-9-16(10-8-15)22-18(24)11-17(19(25)26)20-12-14-5-3-2-4-6-14/h2-10,17,20H,11-12H2,1H3,(H,21,23)(H,22,24)(H,25,26)/t17-/m1/s1