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

Systemtic Name: (2R)-4-[(3-methylphenyl)amino]-4-oxidanylidene-2-(propan-2-ylazaniumyl)butanoate Openeye Name: (2R)-2-(isopropylammonio)-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2R)-4-(3-methylanilino)-4-oxo-2-(propan-2-ylammonio)butanoate IUPAC Name: (2R)-4-(3-methylanilino)-4-oxo-2-(propan-2-ylazaniumyl)butanoate Traditional Name: (2R)-2-(isopropylammonio)-4-keto-4-(m-toluidino)butyrate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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