2-[methyl(4-phenylsulfanylbutanoyl)amino]ethanoic acid

Systemtic Name: 2-[methyl(4-phenylsulfanylbutanoyl)amino]ethanoic acid Openeye Name: 2-[methyl(4-phenylsulfanylbutanoyl)amino]acetic acid CAS Name: 2-[methyl-[1-oxo-4-(phenylthio)butyl]amino]acetic acid IUPAC Name: 2-[methyl(4-phenylsulfanylbutanoyl)amino]acetic acid Traditional Name: 2-[methyl-[4-(phenylthio)butanoyl]amino]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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