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

Systemtic Name: 2-[6,8-bis(sulfanyl)octanoylamino]butanedioic acid Openeye Name: 2-[6,8-bis(sulfanyl)octanoylamino]butanedioic acid CAS Name: 2-[(6,8-dimercapto-1-oxooctyl)amino]butanedioic acid IUPAC Name: 2-[6,8-bis(sulfanyl)octanoylamino]butanedioic acid Traditional Name: 2-(6,8-dimercaptooctanoylamino)succinic acid Formula: C12H21NO5S2 MolecularWeight: 323.42884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO5S2/c14-10(4-2-1-3-8(20)5-6-19)13-9(12(17)18)7-11(15)16/h8-9,19-20H,1-7H2,(H,13,14)(H,15,16)(H,17,18)