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

Systemtic Name: 2-(2-methylpropanoylamino)-3-sulfanyl-3-[[4-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-(2-methylpropanoylamino)-3-sulfanyl-3-[[4-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-mercapto-2-[(2-methyl-1-oxopropyl)amino]-3-[[4-(trifluoromethylsulfonyl)phenyl]methylthio]propanoic acid IUPAC Name: 2-(2-methylpropanoylamino)-3-sulfanyl-3-[[4-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-(isobutyrylamino)-3-mercapto-3-[(4-triflylbenzyl)thio]propionic acid Formula: C15H18F3NO5S3 MolecularWeight: 445.49733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3NO5S3/c1-8(2)12(20)19-11(13(21)22)14(25)26-7-9-3-5-10(6-4-9)27(23,24)15(16,17)18/h3-6,8,11,14,25H,7H2,1-2H3,(H,19,20)(H,21,22)