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

Systemtic Name: (2R)-4-[(2,6-dimethylphenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,6-dimethylanilino)-2-(isobutylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,6-dimethylanilino)-2-(2-methylpropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,6-dimethylanilino)-2-(2-methylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,6-dimethylanilino)-2-(isobutylammonio)-4-keto-butyrate Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-10(2)9-17-13(16(20)21)8-14(19)18-15-11(3)6-5-7-12(15)4/h5-7,10,13,17H,8-9H2,1-4H3,(H,18,19)(H,20,21)/t13-/m1/s1