Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L64MEA
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| Ligand Name |
3-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-Azanyl-7-[(3-Chlorophenyl)methyl]-6-Oxidanylidene-1~{h}-Purin-7-Ium-9-Yl]-3,4-Bis(Oxidanyl)oxolan-2-Yl]methylamino]-4-Oxidanyl-Cyclobut-3-Ene-1,2-Dione
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| Synonyms |
3-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-Azanyl-7-[(3-Chlorophenyl)methyl]-6-Oxidanylidene-1~{h}-Purin-7-Ium-9-Yl]-3,4-Bis(Oxidanyl)oxolan-2-Yl]methylamino]-4-Oxidanyl-Cyclobut-3-Ene-1,2-Dione; Q27455893; 5NX
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| Structure |
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Download2D MOL |
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| Formula |
C21H20ClN6O7+
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| Canonical SMILES |
C1=CC(=CC(=C1)Cl)CN2C=[N+](C3=C2C(=O)NC(=N3)N)C4C(C(C(O4)CNC5=C(C(=O)C5=O)O)O)O
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| InChI |
1S/C21H19ClN6O7/c22-9-3-1-2-8(4-9)6-27-7-28(18-12(27)19(34)26-21(23)25-18)20-17(33)13(29)10(35-20)5-24-11-14(30)16(32)15(11)31/h1-4,7,10,13,17,20,29,33H,5-6H2,(H4-,23,24,25,26,30,31,32,34)/p+1/t10-,13-,17-,20-/m1/s1
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| InChIKey |
IHSJKXMUPLBBMG-PRXMSPFESA-O
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| PubChem Compound ID | ||||
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