2-(2-methylpropanoylamino)-3-sulfanyl-3-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-(2-methylpropanoylamino)-3-sulfanyl-3-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-(2-methylpropanoylamino)-3-sulfanyl-3-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-mercapto-2-[(2-methyl-1-oxopropyl)amino]-3-[[4-(trifluoromethoxy)phenyl]methylthio]propanoic acid IUPAC Name: 2-(2-methylpropanoylamino)-3-sulfanyl-3-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-(isobutyrylamino)-3-mercapto-3-[[4-(trifluoromethoxy)benzyl]thio]propionic acid Formula: C15H18F3NO4S2 MolecularWeight: 397.43293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(S)SCC1=CC=C(C=C1)OC(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(C(S)SCC1=CC=C(C=C1)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C15H18F3NO4S2/c1-8(2)12(20)19-11(13(21)22)14(24)25-7-9-3-5-10(6-4-9)23-15(16,17)18/h3-6,8,11,14,24H,7H2,1-2H3,(H,19,20)(H,21,22)