azane; 3-azanyl-4-oxidanylidene-4-[2-[(3-sulfanylpyridin-2-yl)methylsulfanyl]ethylamino]butanoic acid; dihydrochloride

Systemtic Name: azane; 3-azanyl-4-oxidanylidene-4-[2-[(3-sulfanylpyridin-2-yl)methylsulfanyl]ethylamino]butanoic acid; dihydrochloride Openeye Name: 3-amino-4-oxo-4-[2-[(3-sulfanyl-2-pyridyl)methylsulfanyl]ethylamino]butanoic acid; ammonia; dihydrochloride CAS Name: 3-amino-4-[2-[(3-mercapto-2-pyridinyl)methylthio]ethylamino]-4-oxobutanoic acid; ammonia; dihydrochloride IUPAC Name: 3-amino-4-oxo-4-[2-[(3-sulfanylpyridin-2-yl)methylsulfanyl]ethylamino]butanoic acid; azane; dihydrochloride Traditional Name: 3-amino-4-keto-4-[2-[(3-mercapto-2-pyridyl)methylthio]ethylamino]butyric acid; ammonia; dihydrochloride Formula: C12H22Cl2N4O3S2 MolecularWeight: 405.36408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC(=O)C(CC(=O)O)N)S.N.Cl.Cl

Isomeric SMILES

C1=CC(=C(N=C1)CSCCNC(=O)C(CC(=O)O)N)S.N.Cl.Cl

InChI

InChI=1S/C12H17N3O3S2.2ClH.H3N/c13-8(6-11(16)17)12(18)15-4-5-20-7-9-10(19)2-1-3-14-9;;;/h1-3,8,19H,4-7,13H2,(H,15,18)(H,16,17);2*1H;1H3