2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; cobalt; cobalt(2+); tetrahydrate

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; cobalt; cobalt(2+); tetrahydrate Openeye Name: cobaltous; 2-amino-3-(1H-imidazol-5-yl)propanoic acid; cobalt; tetrahydrate CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; cobalt; cobalt(2+); tetrahydrate IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; cobalt; cobalt(2+); tetrahydrate Traditional Name: cobaltous; 2-amino-3-(1H-imidazol-5-yl)propionic acid; cobalt; tetrahydrate Formula: C18H35Co3N9O10+2 MolecularWeight: 714.3244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.O.O.O.O.[Co].[Co].[Co+2]

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.O.O.O.O.[Co].[Co].[Co+2]

InChI

InChI=1S/3C6H9N3O2.3Co.4H2O/c3*7-5(6(10)11)1-4-2-8-3-9-4;;;;;;;/h3*2-3,5H,1,7H2,(H,8,9)(H,10,11);;;;4*1H2/q;;;;;+2;;;;