6-[3-(4-methylphenyl)sulfanylpropanoylamino]hexanoic acid

Systemtic Name: 6-[3-(4-methylphenyl)sulfanylpropanoylamino]hexanoic acid Openeye Name: 6-[3-(p-tolylsulfanyl)propanoylamino]hexanoic acid CAS Name: 6-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[3-(4-methylphenyl)sulfanylpropanoylamino]hexanoic acid Traditional Name: 6-[3-(p-tolylthio)propanoylamino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C16H23NO3S/c1-13-6-8-14(9-7-13)21-12-10-15(18)17-11-4-2-3-5-16(19)20/h6-9H,2-5,10-12H2,1H3,(H,17,18)(H,19,20)