hydron; manganese(2+); 2-[[2-methyl-3-oxidanidyl-5-(phosphonatooxymethyl)pyridin-4-yl]methyl-[2-[[2-methyl-3-oxidanidyl-5-(phosphonatooxymethyl)pyridin-4-yl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate

Systemtic Name: hydron; manganese(2+); 2-[[2-methyl-3-oxidanidyl-5-(phosphonatooxymethyl)pyridin-4-yl]methyl-[2-[[2-methyl-3-oxidanidyl-5-(phosphonatooxymethyl)pyridin-4-yl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate Openeye Name: manganous; hydron; 2-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridyl]methyl-[2-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridyl]methyl-(2-oxido-2-oxo-ethyl)amino]ethyl]amino]acetate CAS Name: hydron; manganese(2+); 2-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridinyl]methyl-[2-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridinyl]methyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate IUPAC Name: hydron; manganese(2+); 2-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl-[2-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate Traditional Name: manganous; hydron; 2-[2-[(2-keto-2-oxido-ethyl)-[[2-methyl-3-oxido-5-(phosphatomethyl)-4-pyridyl]methyl]amino]ethyl-[[2-methyl-3-oxido-5-(phosphatomethyl)-4-pyridyl]methyl]amino]acetate Formula: C22H28MnN4O14P2-2 MolecularWeight: 689.361691

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].[H+].CC1=NC=C(C(=C1[O-])CN(CCN(CC2=C(C(=NC=C2COP(=O)([O-])[O-])C)[O-])CC(=O)[O-])CC(=O)[O-])COP(=O)([O-])[O-].[Mn+2]

Isomeric SMILES

[H+].[H+].[H+].[H+].CC1=NC=C(C(=C1[O-])CN(CCN(CC2=C(C(=NC=C2COP(=O)([O-])[O-])C)[O-])CC(=O)[O-])CC(=O)[O-])COP(=O)([O-])[O-].[Mn+2]

InChI

InChI=1S/C22H32N4O14P2.Mn/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);/q;+2/p-4