(3S)-4-[(3-methylphenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (3S)-4-[(3-methylphenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (3S)-3-(benzylammonio)-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (3S)-4-(3-methylanilino)-4-oxo-3-[(phenylmethyl)ammonio]butanoate IUPAC Name: (3S)-3-(benzylazaniumyl)-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (3S)-3-(benzylammonio)-4-keto-4-(m-toluidino)butyrate Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O3/c1-13-6-5-9-15(10-13)20-18(23)16(11-17(21)22)19-12-14-7-3-2-4-8-14/h2-10,16,19H,11-12H2,1H3,(H,20,23)(H,21,22)/t16-/m0/s1