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

Systemtic Name: (2R)-4-oxidanylidene-4-[(phenylmethyl)amino]-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-4-(benzylamino)-2-(benzylammonio)-4-oxo-butanoate CAS Name: (2R)-4-oxo-4-[(phenylmethyl)amino]-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-4-(benzylamino)-2-(benzylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(benzylamino)-2-(benzylammonio)-4-keto-butyrate Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC(=O)NCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](CC(=O)NCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H20N2O3/c21-17(20-13-15-9-5-2-6-10-15)11-16(18(22)23)19-12-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,20,21)(H,22,23)/t16-/m1/s1