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

Systemtic Name: (2R)-4-[(3-hydroxyphenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(3-hydroxyanilino)-4-oxo-butanoate CAS Name: (2R)-4-(3-hydroxyanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(3-hydroxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-(3-hydroxyanilino)-4-keto-butyrate Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC(=O)NC2=CC(=CC=C2)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)O)C(=O)[O-]

InChI

InChI=1S/C17H18N2O4/c20-14-8-4-7-13(9-14)19-16(21)10-15(17(22)23)18-11-12-5-2-1-3-6-12/h1-9,15,18,20H,10-11H2,(H,19,21)(H,22,23)/t15-/m1/s1