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

Systemtic Name: 3-sulfanyl-2-[3,3,3-tris(fluoranyl)propanoylamino]propanoic acid Openeye Name: 3-sulfanyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid CAS Name: 3-mercapto-2-[(3,3,3-trifluoro-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-sulfanyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid Traditional Name: 3-mercapto-2-(3,3,3-trifluoropropanoylamino)propionic acid Formula: C6H8F3NO3S MolecularWeight: 231.19283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8F3NO3S/c7-6(8,9)1-4(11)10-3(2-14)5(12)13/h3,14H,1-2H2,(H,10,11)(H,12,13)