| PDB CCD ID: | KAX |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H25 F N10 O9 P2 |
| InChI: | InChI=1S/C21H25FN10O9P2/c22-14-10(31-7-29-15-18(23)25-5-27-20(15)31)1-9-3-37-42(33,34)40-11-2-13(32-8-30-16-19(24)26-6-28-21(16)32)39-12(11)4-38-43(35,36)41-17(9)14/h5-14,17H,1-4H2,(H,33,34)(H,35,36)(H2,23,25,27)(H2,24,26,28)/t9-,10-,11+,12-,13-,14+,17-/m1/s1 |
| InChIKey: | GDZZWFCZGHMWGL-DRCAKWDSSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Nc1ncnc2n(cnc12)[C@H]3C[C@@H]4O[P](O)(=O)OC[C@H]5C[C@H]([C@H](F)[C@@H]5O[P](O)(=O)OC[C@H]4O3)n6cnc7c(N)ncnc67 | | OpenEye OEToolkits 2.0.7 | c1nc(c2c(n1)n(cn2)C3CC4COP(=O)(OC5CC(OC5COP(=O)(OC4C3F)O)n6cnc7c6ncnc7N)O)N | | OpenEye OEToolkits 2.0.7 | c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]4COP(=O)(O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O[C@H]4[C@H]3F)O)n6cnc7c6ncnc7N)O)N | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[CH]3C[CH]4O[P](O)(=O)OC[CH]5C[CH]([CH](F)[CH]5O[P](O)(=O)OC[CH]4O3)n6cnc7c(N)ncnc67 |
|
| Name: | 9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine |
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