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

Systemtic Name: (2R)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate Openeye Name: (2R)-4-(2-chloroanilino)-4-oxo-2-(pentylammonio)butanoate CAS Name: (2R)-4-(2-chloroanilino)-4-oxo-2-(pentylammonio)butanoate IUPAC Name: (2R)-4-(2-chloroanilino)-4-oxo-2-(pentylazaniumyl)butanoate Traditional Name: (2R)-2-(amylammonio)-4-(2-chloroanilino)-4-keto-butyrate Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O3/c1-2-3-6-9-17-13(15(20)21)10-14(19)18-12-8-5-4-7-11(12)16/h4-5,7-8,13,17H,2-3,6,9-10H2,1H3,(H,18,19)(H,20,21)/t13-/m1/s1