(2R)-2-(3-azanylpropylamino)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(3-azanylpropylamino)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(3-aminopropylamino)-4-(4-fluoroanilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(3-aminopropylamino)-4-(4-fluoroanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(3-aminopropylamino)-4-(4-fluoroanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(3-aminopropylamino)-4-(4-fluoroanilino)-4-keto-butyric acid Formula: C13H18FN3O3 MolecularWeight: 283.298723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(C(=O)O)NCCCN)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C[C@H](C(=O)O)NCCCN)F

InChI

InChI=1S/C13H18FN3O3/c14-9-2-4-10(5-3-9)17-12(18)8-11(13(19)20)16-7-1-6-15/h2-5,11,16H,1,6-8,15H2,(H,17,18)(H,19,20)/t11-/m1/s1