(3R)-4-oxidanylidene-4-phenylazanyl-3-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (3R)-4-oxidanylidene-4-phenylazanyl-3-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (3R)-4-anilino-3-(benzylammonio)-4-oxo-butanoate CAS Name: (3R)-4-anilino-4-oxo-3-[(phenylmethyl)ammonio]butanoate IUPAC Name: (3R)-4-anilino-3-(benzylazaniumyl)-4-oxobutanoate Traditional Name: (3R)-4-anilino-3-(benzylammonio)-4-keto-butyrate Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c20-16(21)11-15(18-12-13-7-3-1-4-8-13)17(22)19-14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,19,22)(H,20,21)/t15-/m1/s1