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

Systemtic Name: (2R)-4-[(4-methylphenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(isobutylammonio)-4-(4-methylanilino)-4-oxo-butanoate CAS Name: (2R)-4-(4-methylanilino)-2-(2-methylpropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-methylanilino)-2-(2-methylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-2-(isobutylammonio)-4-keto-4-(p-toluidino)butyrate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-10(2)9-16-13(15(19)20)8-14(18)17-12-6-4-11(3)5-7-12/h4-7,10,13,16H,8-9H2,1-3H3,(H,17,18)(H,19,20)/t13-/m1/s1