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

Systemtic Name: (2S,3S)-3-methyl-2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]valerate Formula: C14H16F3N2O4- MolecularWeight: 333.28305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F3N2O4/c1-3-8(2)11(12(20)21)19-13(22)18-9-4-6-10(7-5-9)23-14(15,16)17/h4-8,11H,3H2,1-2H3,(H,20,21)(H2,18,19,22)/p-1/t8-,11-/m0/s1