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

Systemtic Name: 6-azanyl-2-[6,8-bis(sulfanyl)octanoylamino]hexanoic acid Openeye Name: 6-amino-2-[6,8-bis(sulfanyl)octanoylamino]hexanoic acid CAS Name: 6-amino-2-[(6,8-dimercapto-1-oxooctyl)amino]hexanoic acid IUPAC Name: 6-amino-2-[6,8-bis(sulfanyl)octanoylamino]hexanoic acid Traditional Name: 6-amino-2-(6,8-dimercaptooctanoylamino)hexanoic acid Formula: C14H28N2O3S2 MolecularWeight: 336.51372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28N2O3S2/c15-9-4-3-6-12(14(18)19)16-13(17)7-2-1-5-11(21)8-10-20/h11-12,20-21H,1-10,15H2,(H,16,17)(H,18,19)