(2R)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate Openeye Name: (2R)-4-(3-fluoroanilino)-4-oxo-2-(pentylammonio)butanoate CAS Name: (2R)-4-(3-fluoroanilino)-4-oxo-2-(pentylammonio)butanoate IUPAC Name: (2R)-4-(3-fluoroanilino)-4-oxo-2-(pentylazaniumyl)butanoate Traditional Name: (2R)-2-(amylammonio)-4-(3-fluoroanilino)-4-keto-butyrate Formula: C15H21FN2O3 MolecularWeight: 296.337243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FN2O3/c1-2-3-4-8-17-13(15(20)21)10-14(19)18-12-7-5-6-11(16)9-12/h5-7,9,13,17H,2-4,8,10H2,1H3,(H,18,19)(H,20,21)/t13-/m1/s1