3-(4-phenylsulfanylbutanoylamino)propanoic acid

Systemtic Name: 3-(4-phenylsulfanylbutanoylamino)propanoic acid Openeye Name: 3-(4-phenylsulfanylbutanoylamino)propanoic acid CAS Name: 3-[[1-oxo-4-(phenylthio)butyl]amino]propanoic acid IUPAC Name: 3-(4-phenylsulfanylbutanoylamino)propanoic acid Traditional Name: 3-[4-(phenylthio)butanoylamino]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NCCC(=O)O

InChI

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