dioxidanium; (2S)-2-azanyl-3-(1H-imidazol-3-ium-5-yl)propanoic acid; copper

Systemtic Name: dioxidanium; (2S)-2-azanyl-3-(1H-imidazol-3-ium-5-yl)propanoic acid; copper Openeye Name: dioxonium; (2S)-2-amino-3-(1H-imidazol-3-ium-5-yl)propanoic acid; copper CAS Name: dioxonium; (2S)-2-amino-3-(1H-imidazol-3-ium-5-yl)propanoic acid; copper IUPAC Name: dioxidanium; (2S)-2-amino-3-(1H-imidazol-3-ium-5-yl)propanoic acid; copper Traditional Name: dioxonium; (2S)-2-amino-3-(1H-imidazol-3-ium-5-yl)propionic acid; copper Formula: C12H26CuN6O6+4 MolecularWeight: 413.91744

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=[NH+]1)CC(C(=O)O)N.C1=C(NC=[NH+]1)CC(C(=O)O)N.[OH3+].[OH3+].[Cu]

Isomeric SMILES

C1=C(NC=[NH+]1)C[C@@H](C(=O)O)N.C1=C(NC=[NH+]1)C[C@@H](C(=O)O)N.[OH3+].[OH3+].[Cu]

InChI

InChI=1S/2C6H9N3O2.Cu.2H2O/c2*7-5(6(10)11)1-4-2-8-3-9-4;;;/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);;2*1H2/p+4/t2*5-;;;/m00.../s1