2-(2-phenethylsulfanylethanoylamino)hexanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CSCCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSCCC1=CC=CC=C1

InChI

InChI=1S/C16H23NO3S/c1-2-3-9-14(16(19)20)17-15(18)12-21-11-10-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,17,18)(H,19,20)