2-[6,8-bis(sulfanyl)octanoylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[6,8-bis(sulfanyl)octanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[6,8-bis(sulfanyl)octanoylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[(6,8-dimercapto-1-oxooctyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[6,8-bis(sulfanyl)octanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-(6,8-dimercaptooctanoylamino)-3-(1H-imidazol-5-yl)propionic acid Formula: C14H23N3O3S2 MolecularWeight: 345.48072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)NC(=O)CCCCC(CCS)S

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)O)NC(=O)CCCCC(CCS)S

InChI

InChI=1S/C14H23N3O3S2/c18-13(4-2-1-3-11(22)5-6-21)17-12(14(19)20)7-10-8-15-9-16-10/h8-9,11-12,21-22H,1-7H2,(H,15,16)(H,17,18)(H,19,20)