4-(3-phenylsulfanylpropanoylamino)butanoic acid

Systemtic Name: 4-(3-phenylsulfanylpropanoylamino)butanoic acid Openeye Name: 4-(3-phenylsulfanylpropanoylamino)butanoic acid CAS Name: 4-[[1-oxo-3-(phenylthio)propyl]amino]butanoic acid IUPAC Name: 4-(3-phenylsulfanylpropanoylamino)butanoic acid Traditional Name: 4-[3-(phenylthio)propanoylamino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NCCCC(=O)O

InChI

InChI=1S/C13H17NO3S/c15-12(14-9-4-7-13(16)17)8-10-18-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)(H,16,17)