2-(4-phenylsulfanylbutanoylamino)propanoic acid

Systemtic Name: 2-(4-phenylsulfanylbutanoylamino)propanoic acid Openeye Name: 2-(4-phenylsulfanylbutanoylamino)propanoic acid CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]propanoic acid IUPAC Name: 2-(4-phenylsulfanylbutanoylamino)propanoic acid Traditional Name: 2-[4-(phenylthio)butanoylamino]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-10(13(16)17)14-12(15)8-5-9-18-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,14,15)(H,16,17)