3-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoic acid

Systemtic Name: 3-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoic acid Openeye Name: 3-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoic acid CAS Name: 3-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoic acid Traditional Name: 3-[3-[(4-fluorophenyl)thio]propanoylamino]propionic acid Formula: C12H14FNO3S MolecularWeight: 271.307863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1F)SCCC(=O)NCCC(=O)O

InChI

InChI=1S/C12H14FNO3S/c13-9-1-3-10(4-2-9)18-8-6-11(15)14-7-5-12(16)17/h1-4H,5-8H2,(H,14,15)(H,16,17)