3-(2-phenethylsulfanylethanoylamino)butanoic acid

Systemtic Name: 3-(2-phenethylsulfanylethanoylamino)butanoic acid Openeye Name: 3-[(2-phenethylsulfanylacetyl)amino]butanoic acid CAS Name: 3-[[1-oxo-2-(phenethylthio)ethyl]amino]butanoic acid IUPAC Name: 3-[(2-phenethylsulfanylacetyl)amino]butanoic acid Traditional Name: 3-[[2-(phenethylthio)acetyl]amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CSCCC1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)O)NC(=O)CSCCC1=CC=CC=C1

InChI

InChI=1S/C14H19NO3S/c1-11(9-14(17)18)15-13(16)10-19-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,16)(H,17,18)