3-methyl-3-sulfanyl-2-[3,3,3-tris(fluoranyl)propanoylamino]butanoic acid

Systemtic Name: 3-methyl-3-sulfanyl-2-[3,3,3-tris(fluoranyl)propanoylamino]butanoic acid Openeye Name: 3-methyl-3-sulfanyl-2-(3,3,3-trifluoropropanoylamino)butanoic acid CAS Name: 3-mercapto-3-methyl-2-[(3,3,3-trifluoro-1-oxopropyl)amino]butanoic acid IUPAC Name: 3-methyl-3-sulfanyl-2-(3,3,3-trifluoropropanoylamino)butanoic acid Traditional Name: 3-mercapto-3-methyl-2-(3,3,3-trifluoropropanoylamino)butyric acid Formula: C8H12F3NO3S MolecularWeight: 259.24599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12F3NO3S/c1-7(2,16)5(6(14)15)12-4(13)3-8(9,10)11/h5,16H,3H2,1-2H3,(H,12,13)(H,14,15)