(2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-chloro-4-methyl-anilino)-2-(isobutylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloro-4-methylanilino)-2-(2-methylpropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(3-chloro-4-methylanilino)-2-(2-methylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-chloro-4-methyl-anilino)-2-(isobutylammonio)-4-keto-butyrate Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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