7-[2-(phenylmethylsulfanyl)ethanoylamino]heptanoic acid

Systemtic Name: 7-[2-(phenylmethylsulfanyl)ethanoylamino]heptanoic acid Openeye Name: 7-[(2-benzylsulfanylacetyl)amino]heptanoic acid CAS Name: 7-[[1-oxo-2-(phenylmethylthio)ethyl]amino]heptanoic acid IUPAC Name: 7-[(2-benzylsulfanylacetyl)amino]heptanoic acid Traditional Name: 7-[[2-(benzylthio)acetyl]amino]enanthic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c18-15(13-21-12-14-8-4-3-5-9-14)17-11-7-2-1-6-10-16(19)20/h3-5,8-9H,1-2,6-7,10-13H2,(H,17,18)(H,19,20)