6-[2-(phenylmethylsulfanyl)ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(phenylmethylsulfanyl)ethanoylamino]hexanoic acid Openeye Name: 6-[(2-benzylsulfanylacetyl)amino]hexanoic acid CAS Name: 6-[[1-oxo-2-(phenylmethylthio)ethyl]amino]hexanoic acid IUPAC Name: 6-[(2-benzylsulfanylacetyl)amino]hexanoic acid Traditional Name: 6-[[2-(benzylthio)acetyl]amino]hexanoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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