2-[3-(4-methylphenyl)sulfanylpropanoylamino]hexanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]hexanoic acid Openeye Name: 2-[3-(p-tolylsulfanyl)propanoylamino]hexanoic acid CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]hexanoic acid Traditional Name: 2-[3-(p-tolylthio)propanoylamino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)C

InChI

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