Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LCXD52
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| Ligand Name |
N-[[(2R,3S,4R,5R)-5-(2-amino-7-benzyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,1,1-trifluoromethanesulfonamide
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| Synonyms |
5O8; Q27455901
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| Structure |
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Download2D MOL |
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| Formula |
C18H20F3N6O6S+
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| Canonical SMILES |
C1=CC=C(C=C1)CN2C=[N+](C3=C2C(=O)NC(=N3)N)C4C(C(C(O4)CNS(=O)(=O)C(F)(F)F)O)O
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| InChI |
1S/C18H19F3N6O6S/c19-18(20,21)34(31,32)23-6-10-12(28)13(29)16(33-10)27-8-26(7-9-4-2-1-3-5-9)11-14(27)24-17(22)25-15(11)30/h1-5,8,10,12-13,16,23,28-29H,6-7H2,(H2-,22,24,25,30)/p+1/t10-,12-,13-,16-/m1/s1
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| InChIKey |
NMFHLBUCTTXCHX-XNIJJKJLSA-O
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| PubChem Compound ID | ||||
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