2-[6,8-bis(sulfanyl)octanoylamino]pentanedioic acid

Systemtic Name: 2-[6,8-bis(sulfanyl)octanoylamino]pentanedioic acid Openeye Name: 2-[6,8-bis(sulfanyl)octanoylamino]pentanedioic acid CAS Name: 2-[(6,8-dimercapto-1-oxooctyl)amino]pentanedioic acid IUPAC Name: 2-[6,8-bis(sulfanyl)octanoylamino]pentanedioic acid Traditional Name: 2-(6,8-dimercaptooctanoylamino)glutaric acid Formula: C13H23NO5S2 MolecularWeight: 337.45542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)NC(CCC(=O)O)C(=O)O)CC(CCS)S

Isomeric SMILES

C(CCC(=O)NC(CCC(=O)O)C(=O)O)CC(CCS)S

InChI

InChI=1S/C13H23NO5S2/c15-11(4-2-1-3-9(21)7-8-20)14-10(13(18)19)5-6-12(16)17/h9-10,20-21H,1-8H2,(H,14,15)(H,16,17)(H,18,19)