6-(3-phenylsulfanylpropanoylamino)hexanoic acid

Systemtic Name: 6-(3-phenylsulfanylpropanoylamino)hexanoic acid Openeye Name: 6-(3-phenylsulfanylpropanoylamino)hexanoic acid CAS Name: 6-[[1-oxo-3-(phenylthio)propyl]amino]hexanoic acid IUPAC Name: 6-(3-phenylsulfanylpropanoylamino)hexanoic acid Traditional Name: 6-[3-(phenylthio)propanoylamino]hexanoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c17-14(16-11-6-2-5-9-15(18)19)10-12-20-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,17)(H,18,19)