(3S)-4-[(3-fluorophenyl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (3S)-4-[(3-fluorophenyl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (3S)-4-(3-fluoroanilino)-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3S)-4-(3-fluoroanilino)-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (3S)-4-(3-fluoroanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3S)-4-(3-fluoroanilino)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C15H15FN2O4 MolecularWeight: 306.289003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

C1=CC(=CC(=C1)F)NC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C15H15FN2O4/c16-10-3-1-4-11(7-10)18-15(21)13(8-14(19)20)17-9-12-5-2-6-22-12/h1-7,13,17H,8-9H2,(H,18,21)(H,19,20)/t13-/m0/s1