3-(chloromethylsulfanyl)-2-(octylamino)propanoic acid

Systemtic Name: 3-(chloromethylsulfanyl)-2-(octylamino)propanoic acid Openeye Name: 3-(chloromethylsulfanyl)-2-(octylamino)propanoic acid CAS Name: 3-(chloromethylthio)-2-(octylamino)propanoic acid IUPAC Name: 3-(chloromethylsulfanyl)-2-(octylamino)propanoic acid Traditional Name: 3-(chloromethylthio)-2-(octylamino)propionic acid Formula: C12H24ClNO2S MolecularWeight: 281.84246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(CSCCl)C(=O)O

Isomeric SMILES

CCCCCCCCNC(CSCCl)C(=O)O

InChI

InChI=1S/C12H24ClNO2S/c1-2-3-4-5-6-7-8-14-11(12(15)16)9-17-10-13/h11,14H,2-10H2,1H3,(H,15,16)