3-(3-methylsulfanylpropanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 3-(3-methylsulfanylpropanoylamino)-3-phenyl-propanoic acid Openeye Name: 3-(3-methylsulfanylpropanoylamino)-3-phenyl-propanoic acid CAS Name: 3-[[3-(methylthio)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-(3-methylsulfanylpropanoylamino)-3-phenylpropanoic acid Traditional Name: 3-[3-(methylthio)propanoylamino]-3-phenyl-propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC(CC(=O)O)C1=CC=CC=C1

Isomeric SMILES

CSCCC(=O)NC(CC(=O)O)C1=CC=CC=C1

InChI

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