2-(4-phenylsulfanylbutanoylamino)butanoic acid

Systemtic Name: 2-(4-phenylsulfanylbutanoylamino)butanoic acid Openeye Name: 2-(4-phenylsulfanylbutanoylamino)butanoic acid CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]butanoic acid IUPAC Name: 2-(4-phenylsulfanylbutanoylamino)butanoic acid Traditional Name: 2-[4-(phenylthio)butanoylamino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-2-12(14(17)18)15-13(16)9-6-10-19-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,16)(H,17,18)