(3S)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]amino]butanoic acid

Systemtic Name: (3S)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]amino]butanoic acid Openeye Name: (3S)-3-amino-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid CAS Name: (3S)-3-amino-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid IUPAC Name: (3S)-3-amino-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid Traditional Name: (3S)-3-amino-4-keto-4-[3-(trifluoromethyl)anilino]butyric acid Formula: C11H11F3N2O3 MolecularWeight: 276.21185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11F3N2O3/c12-11(13,14)6-2-1-3-7(4-6)16-10(19)8(15)5-9(17)18/h1-4,8H,5,15H2,(H,16,19)(H,17,18)/t8-/m0/s1