2-(4-phenylsulfanylbutanoylamino)hexanoic acid

Systemtic Name: 2-(4-phenylsulfanylbutanoylamino)hexanoic acid Openeye Name: 2-(4-phenylsulfanylbutanoylamino)hexanoic acid CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]hexanoic acid IUPAC Name: 2-(4-phenylsulfanylbutanoylamino)hexanoic acid Traditional Name: 2-[4-(phenylthio)butanoylamino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CCCSC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CCCSC1=CC=CC=C1

InChI

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