4-[methyl(3-phenylsulfanylpropanoyl)amino]butanoic acid

Systemtic Name: 4-[methyl(3-phenylsulfanylpropanoyl)amino]butanoic acid Openeye Name: 4-[methyl(3-phenylsulfanylpropanoyl)amino]butanoic acid CAS Name: 4-[methyl-[1-oxo-3-(phenylthio)propyl]amino]butanoic acid IUPAC Name: 4-[methyl(3-phenylsulfanylpropanoyl)amino]butanoic acid Traditional Name: 4-[methyl-[3-(phenylthio)propanoyl]amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CCSC1=CC=CC=C1

InChI

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