(2R)-2-(2-hydroxyethylazaniumyl)-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-hydroxyethylazaniumyl)-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-hydroxyethylammonio)-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-hydroxyethylammonio)-4-(3-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-hydroxyethylazaniumyl)-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-hydroxyethylammonio)-4-keto-4-(m-toluidino)butyrate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-9-3-2-4-10(7-9)15-12(17)8-11(13(18)19)14-5-6-16/h2-4,7,11,14,16H,5-6,8H2,1H3,(H,15,17)(H,18,19)/t11-/m1/s1