(2R)-4-[(4-fluorophenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-fluorophenyl)amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-fluoroanilino)-2-(isobutylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-fluoroanilino)-2-(2-methylpropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-fluoroanilino)-2-(2-methylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-fluoroanilino)-2-(isobutylammonio)-4-keto-butyrate Formula: C14H19FN2O3 MolecularWeight: 282.310663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C(CC(=O)NC1=CC=C(C=C1)F)C(=O)[O-]

Isomeric SMILES

CC(C)C[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)F)C(=O)[O-]

InChI

InChI=1S/C14H19FN2O3/c1-9(2)8-16-12(14(19)20)7-13(18)17-11-5-3-10(15)4-6-11/h3-6,9,12,16H,7-8H2,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1