Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L1AST9
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| Ligand Name |
1-[(2R,3R,4S,5R)-4-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-dihydroxyphosphinothioyloxy-4-hydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(dihydroxyphosphinothioyloxymethyl)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
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| Structure |
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Download2D MOL
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| Formula |
C19H26N7O16P3S3
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| Canonical SMILES |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=S)(O)O)OP(=O)(OCC3C(C(C(O3)N4C=NC5=C4N=C(NC5=O)N)O)OP(=S)(O)O)S)O
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| InChI |
1S/C19H26N7O16P3S3/c20-18-23-14-9(15(30)24-18)21-5-26(14)17-10(28)12(41-44(34,35)47)7(40-17)4-38-45(36,48)42-13-6(3-37-43(32,33)46)39-16(11(13)29)25-2-1-8(27)22-19(25)31/h1-2,5-7,10-13,16-17,28-29H,3-4H2,(H,36,48)(H,22,27,31)(H2,32,33,46)(H2,34,35,47)(H3,20,23,24,30)/t6-,7-,10-,11-,12-,13-,16-,17-,45?/m1/s1
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| InChIKey |
PRHQISJBVGJFKN-HLWZVQIUSA-N
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| PubChem Compound ID | ||||
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