(2R)-2-(6-azanylhexylamino)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(6-azanylhexylamino)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(6-aminohexylamino)-4-(4-fluoroanilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(6-aminohexylamino)-4-(4-fluoroanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(6-aminohexylamino)-4-(4-fluoroanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(6-aminohexylamino)-4-(4-fluoroanilino)-4-keto-butyric acid Formula: C16H24FN3O3 MolecularWeight: 325.378463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FN3O3/c17-12-5-7-13(8-6-12)20-15(21)11-14(16(22)23)19-10-4-2-1-3-9-18/h5-8,14,19H,1-4,9-11,18H2,(H,20,21)(H,22,23)/t14-/m1/s1