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

Systemtic Name: (2R)-4-[(4-acetamidophenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-acetamidoanilino)-2-(isobutylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-acetamidoanilino)-2-(2-methylpropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-acetamidoanilino)-2-(2-methylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-acetamidoanilino)-2-(isobutylammonio)-4-keto-butyrate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)[O-]

Isomeric SMILES

CC(C)C[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-10(2)9-17-14(16(22)23)8-15(21)19-13-6-4-12(5-7-13)18-11(3)20/h4-7,10,14,17H,8-9H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)/t14-/m1/s1