2-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[3-[(4-fluorophenyl)thio]propanoylamino]acetyl]amino]acetic acid Formula: C13H15FN2O4S MolecularWeight: 314.332603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O4S/c14-9-1-3-10(4-2-9)21-6-5-11(17)15-7-12(18)16-8-13(19)20/h1-4H,5-8H2,(H,15,17)(H,16,18)(H,19,20)