2-azanyl-3-[1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]imidazol-4-yl]propanoic acid trihydrochloride

Systemtic Name: 2-azanyl-3-[1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]imidazol-4-yl]propanoic acid trihydrochloride Openeye Name: 2-amino-3-[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]imidazol-4-yl]propanoic acid trihydrochloride CAS Name: 2-amino-3-[1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-4-imidazolyl]propanoic acid trihydrochloride IUPAC Name: 2-amino-3-[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]imidazol-4-yl]propanoic acid trihydrochloride Traditional Name: 2-amino-3-[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]imidazol-4-yl]propionic acid trihydrochloride Formula: C12H19Cl3N6O3 MolecularWeight: 401.67666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)N2C=C(N=C2)CC(C(=O)O)N)N.Cl.Cl.Cl

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)N2C=C(N=C2)CC(C(=O)O)N)N.Cl.Cl.Cl

InChI

InChI=1S/C12H16N6O3.3ClH/c13-9(1-7-3-15-5-16-7)11(19)18-4-8(17-6-18)2-10(14)12(20)21;;;/h3-6,9-10H,1-2,13-14H2,(H,15,16)(H,20,21);3*1H