dicopper 3-azanidylpropanoyl-[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanide dihydrate

Systemtic Name: dicopper 3-azanidylpropanoyl-[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanide dihydrate Openeye Name: dicopper 3-azanidylpropanoyl-[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]azanide dihydrate CAS Name: dicopper (3-azanidyl-1-oxopropyl)-[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]azanide dihydrate IUPAC Name: dicopper 3-azanidylpropanoyl-[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]azanide dihydrate Traditional Name: dicupric 3-amidylpropanoyl-[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]azanide dihydrate Formula: C18H28Cu2N8O8 MolecularWeight: 611.55572

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)[N-]C(=O)CC[NH-].C1=C(NC=N1)CC(C(=O)O)[N-]C(=O)CC[NH-].O.O.[Cu+2].[Cu+2]

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)O)[N-]C(=O)CC[NH-].C1=C(NC=N1)CC(C(=O)O)[N-]C(=O)CC[NH-].O.O.[Cu+2].[Cu+2]

InChI

InChI=1S/2C9H13N4O3.2Cu.2H2O/c2*10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;;;;/h2*4-5,7,10H,1-3H2,(H3,11,12,13,14,15,16);;;2*1H2/q2*-1;2*+2;;/p-2