(2S)-4-azanyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]carbonylamino]butanoate

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]carbonylamino]butanoate Openeye Name: (2S)-4-amino-4-oxo-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate CAS Name: (2S)-4-amino-4-oxo-2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]butanoate IUPAC Name: (2S)-4-amino-4-oxo-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate Traditional Name: (2S)-4-amino-4-keto-2-[[3-(trifluoromethyl)benzoyl]amino]butyrate Formula: C12H10F3N2O4- MolecularWeight: 303.21401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N2O4/c13-12(14,15)7-3-1-2-6(4-7)10(19)17-8(11(20)21)5-9(16)18/h1-4,8H,5H2,(H2,16,18)(H,17,19)(H,20,21)/p-1/t8-/m0/s1