dialuminum; 4-(aminocarbonylamino)-1-oxidanyl-2,5-bis(oxidanylidene)imidazolidine-4-carboxylate; 2-azanylethanoate

Systemtic Name: dialuminum; 4-(aminocarbonylamino)-1-oxidanyl-2,5-bis(oxidanylidene)imidazolidine-4-carboxylate; 2-azanylethanoate Openeye Name: dialuminum; 2-aminoacetate; 1-hydroxy-2,5-dioxo-4-ureido-imidazolidine-4-carboxylate CAS Name: dialuminum; 2-aminoacetate; 4-(carbamoylamino)-1-hydroxy-2,5-dioxo-4-imidazolidinecarboxylate IUPAC Name: dialuminum; 2-aminoacetate; 4-(carbamoylamino)-1-hydroxy-2,5-dioxoimidazolidine-4-carboxylate Traditional Name: dialuminum; 2-aminoacetate; 1-hydroxy-2,5-diketo-4-ureido-imidazolidine-4-carboxylate Formula: C21H27Al2N15O24 MolecularWeight: 927.488256

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C1(=O)C(NC(=O)N1O)(C(=O)[O-])NC(=O)N.C1(=O)C(NC(=O)N1O)(C(=O)[O-])NC(=O)N.C1(=O)C(NC(=O)N1O)(C(=O)[O-])NC(=O)N.[Al+3].[Al+3]

Isomeric SMILES

C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C1(=O)C(NC(=O)N1O)(C(=O)[O-])NC(=O)N.C1(=O)C(NC(=O)N1O)(C(=O)[O-])NC(=O)N.C1(=O)C(NC(=O)N1O)(C(=O)[O-])NC(=O)N.[Al+3].[Al+3]

InChI

InChI=1S/3C5H6N4O6.3C2H5NO2.2Al/c3*6-3(13)7-5(2(11)12)1(10)9(15)4(14)8-5;3*3-1-2(4)5;;/h3*15H,(H,8,14)(H,11,12)(H3,6,7,13);3*1,3H2,(H,4,5);;/q;;;;;;2*+3/p-6