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

Systemtic Name: (2R)-4-[(2-methylphenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate Openeye Name: (2R)-4-(2-methylanilino)-4-oxo-2-(propylammonio)butanoate CAS Name: (2R)-4-(2-methylanilino)-4-oxo-2-(propylammonio)butanoate IUPAC Name: (2R)-4-(2-methylanilino)-4-oxo-2-(propylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(o-toluidino)-2-(propylammonio)butyrate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(CC(=O)NC1=CC=CC=C1C)C(=O)[O-]

Isomeric SMILES

CCC[NH2+][C@H](CC(=O)NC1=CC=CC=C1C)C(=O)[O-]

InChI

InChI=1S/C14H20N2O3/c1-3-8-15-12(14(18)19)9-13(17)16-11-7-5-4-6-10(11)2/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)/t12-/m1/s1