(2R)-4-[(2-chlorophenyl)amino]-2-(3-methylbutylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-chlorophenyl)amino]-2-(3-methylbutylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-chloroanilino)-2-(isopentylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-chloroanilino)-2-(3-methylbutylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-chloroanilino)-2-(3-methylbutylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-chloroanilino)-2-(isoamylammonio)-4-keto-butyrate Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]C(CC(=O)NC1=CC=CC=C1Cl)C(=O)[O-]

Isomeric SMILES

CC(C)CC[NH2+][C@H](CC(=O)NC1=CC=CC=C1Cl)C(=O)[O-]

InChI

InChI=1S/C15H21ClN2O3/c1-10(2)7-8-17-13(15(20)21)9-14(19)18-12-6-4-3-5-11(12)16/h3-6,10,13,17H,7-9H2,1-2H3,(H,18,19)(H,20,21)/t13-/m1/s1