(2R)-4-[(3-methylphenyl)amino]-4-oxidanylidene-2-[[(1R)-1-phenylethyl]azaniumyl]butanoate

Systemtic Name: (2R)-4-[(3-methylphenyl)amino]-4-oxidanylidene-2-[[(1R)-1-phenylethyl]azaniumyl]butanoate Openeye Name: (2R)-4-(3-methylanilino)-4-oxo-2-[[(1R)-1-phenylethyl]ammonio]butanoate CAS Name: (2R)-4-(3-methylanilino)-4-oxo-2-[[(1R)-1-phenylethyl]ammonio]butanoate IUPAC Name: (2R)-4-(3-methylanilino)-4-oxo-2-[[(1R)-1-phenylethyl]azaniumyl]butanoate Traditional Name: (2R)-4-keto-4-(m-toluidino)-2-[[(1R)-1-phenylethyl]ammonio]butyrate Formula: C19H22N2O3 MolecularWeight: 326.38958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-13-7-6-10-16(11-13)21-18(22)12-17(19(23)24)20-14(2)15-8-4-3-5-9-15/h3-11,14,17,20H,12H2,1-2H3,(H,21,22)(H,23,24)/t14-,17-/m1/s1