(3S)-4,4-bis(fluoranyl)-3-(2-phenylethanoylamino)butanoic acid

Systemtic Name: (3S)-4,4-bis(fluoranyl)-3-(2-phenylethanoylamino)butanoic acid Openeye Name: (3S)-4,4-difluoro-3-[(2-phenylacetyl)amino]butanoic acid CAS Name: (3S)-4,4-difluoro-3-[(1-oxo-2-phenylethyl)amino]butanoic acid IUPAC Name: (3S)-4,4-difluoro-3-[(2-phenylacetyl)amino]butanoic acid Traditional Name: (3S)-4,4-difluoro-3-[(2-phenylacetyl)amino]butyric acid Formula: C12H13F2NO3 MolecularWeight: 257.233326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C(F)F

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3/c13-12(14)9(7-11(17)18)15-10(16)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,15,16)(H,17,18)/t9-/m0/s1