2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid dihydrochloride

Systemtic Name: 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid dihydrochloride Openeye Name: 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]benzoyl]amino]-4-methylsulfanyl-butanoic acid dihydrochloride CAS Name: 2-[[[3-[(1H-imidazol-5-ylmethylamino)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid dihydrochloride IUPAC Name: 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]benzoyl]amino]-4-methylsulfanylbutanoic acid dihydrochloride Traditional Name: 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]benzoyl]amino]-4-(methylthio)butyric acid dihydrochloride Formula: C17H24Cl2N4O3S MolecularWeight: 435.36846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)CNCC2=CN=CN2.Cl.Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)CNCC2=CN=CN2.Cl.Cl

InChI

InChI=1S/C17H22N4O3S.2ClH/c1-25-6-5-15(17(23)24)21-16(22)13-4-2-3-12(7-13)8-18-9-14-10-19-11-20-14;;/h2-4,7,10-11,15,18H,5-6,8-9H2,1H3,(H,19,20)(H,21,22)(H,23,24);2*1H