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

Systemtic Name: (2R)-4-[(3-fluorophenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2R)-4-(3-fluoroanilino)-2-(3-hydroxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-fluoroanilino)-2-(3-hydroxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(3-fluoroanilino)-2-(3-hydroxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-fluoroanilino)-2-(3-hydroxypropylammonio)-4-keto-butyrate Formula: C13H17FN2O4 MolecularWeight: 284.283483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O4/c14-9-3-1-4-10(7-9)16-12(18)8-11(13(19)20)15-5-2-6-17/h1,3-4,7,11,15,17H,2,5-6,8H2,(H,16,18)(H,19,20)/t11-/m1/s1