(2R)-4-[(3-methylphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(3-methylphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-(3-methylanilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-(3-methylanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-(3-methylanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(m-toluidino)-2-(phenethylammonio)butyrate Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3/c1-14-6-5-9-16(12-14)21-18(22)13-17(19(23)24)20-11-10-15-7-3-2-4-8-15/h2-9,12,17,20H,10-11,13H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1