(2R)-4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-(2,6-dimethylanilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-(2,6-dimethylanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-(2,6-dimethylanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-(2,6-dimethylanilino)-4-keto-2-(phenethylammonio)butyrate Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-14-7-6-8-15(2)19(14)22-18(23)13-17(20(24)25)21-12-11-16-9-4-3-5-10-16/h3-10,17,21H,11-13H2,1-2H3,(H,22,23)(H,24,25)/t17-/m1/s1