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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-2-3-9-13(15(18)19)16-14(17)11-20-10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)