(2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]valerate Formula: C14H16F3N2O3- MolecularWeight: 317.28365

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C14H17F3N2O3/c1-8(2)6-11(12(20)21)19-13(22)18-10-5-3-4-9(7-10)14(15,16)17/h3-5,7-8,11H,6H2,1-2H3,(H,20,21)(H2,18,19,22)/p-1/t11-/m0/s1