6-(2-phenethylsulfanylethanoylamino)hexanoic acid

Systemtic Name: 6-(2-phenethylsulfanylethanoylamino)hexanoic acid Openeye Name: 6-[(2-phenethylsulfanylacetyl)amino]hexanoic acid CAS Name: 6-[[1-oxo-2-(phenethylthio)ethyl]amino]hexanoic acid IUPAC Name: 6-[(2-phenethylsulfanylacetyl)amino]hexanoic acid Traditional Name: 6-[[2-(phenethylthio)acetyl]amino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c18-15(17-11-6-2-5-9-16(19)20)13-21-12-10-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,17,18)(H,19,20)