(2R)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-(2,5-dimethylanilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-(2,5-dimethylanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-(2,5-dimethylanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-(2,5-dimethylanilino)-4-keto-2-(phenethylammonio)butyrate Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-14-8-9-15(2)17(12-14)22-19(23)13-18(20(24)25)21-11-10-16-6-4-3-5-7-16/h3-9,12,18,21H,10-11,13H2,1-2H3,(H,22,23)(H,24,25)/t18-/m1/s1