(3R)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (3R)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (3R)-3-(benzylammonio)-4-(3-fluoroanilino)-4-oxo-butanoate CAS Name: (3R)-4-(3-fluoroanilino)-4-oxo-3-[(phenylmethyl)ammonio]butanoate IUPAC Name: (3R)-3-(benzylazaniumyl)-4-(3-fluoroanilino)-4-oxobutanoate Traditional Name: (3R)-3-(benzylammonio)-4-(3-fluoroanilino)-4-keto-butyrate Formula: C17H17FN2O3 MolecularWeight: 316.326883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC(=O)[O-])C(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](CC(=O)[O-])C(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C17H17FN2O3/c18-13-7-4-8-14(9-13)20-17(23)15(10-16(21)22)19-11-12-5-2-1-3-6-12/h1-9,15,19H,10-11H2,(H,20,23)(H,21,22)/t15-/m1/s1