2-[3-(4-fluorophenyl)sulfanylpropanoylamino]butanoic acid

Systemtic Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]butanoic acid Openeye Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]butanoic acid CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]butanoic acid Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoylamino]butyric acid Formula: C13H16FNO3S MolecularWeight: 285.334443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)F

Isomeric SMILES

CCC(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)F

InChI

InChI=1S/C13H16FNO3S/c1-2-11(13(17)18)15-12(16)7-8-19-10-5-3-9(14)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,15,16)(H,17,18)