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| Standard English name | |
|---|---|
| Cas No. | 201039-34-1 |
| Alias | 5′-Thymidylic acid, 2-ester with 1-[5-O-[[2-(9H-carbazol-9-yl)-1-[[[[2-(9H-carbazol-9-yl)-1-(hydroxymethyl)ethoxy]hydroxyphosphinyl]oxy]methyl]ethoxy]hydroxyphosphinyl]-3-O-[[3-(9H-carbazol-9-yl)-2-hydroxypropoxy]hydroxyphosphinyl]-2-deoxy-β-D-erythro-pentofuranosyl]-1H-benzotriazole |
| Canonical Smiles | CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OC3C=CC=C4C=3N=NN4[C@H]3C[C@H](OP(O)(=O)OCC(O)CN4C5C=CC=CC=5C5C=CC=CC4=5)[C@@H](COP(O)(=O)OC(CN4C5C=CC=CC=5C5C=CC=CC4=5)COP(O)(=O)OC(CN4C5C=CC=CC=5C5C=CC=CC4=5)CO)O3)O2)C(=O)NC1=O |
| MDL No. | |
| Exact Mass | 1,464.33478 |
| Smiles | O=P(O[C@@H]1[C@@H](COP(O)(OC(COP(O)(OC(CO)CN2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)CN5C6=C(C7=C5C=CC=C7)C=CC=C6)=O)O[C@@H](N8N=NC9=C(OP(O)(OC[C@@H]%10[C@H](C[C@H](N%11C(NC(C(C)=C%11)=O)=O)O%10)O)=O)C=CC=C98)C1)(OCC(O)CN%12C%13=C(C%14=C%12C=CC=C%14)C=CC=C%13)O |
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| Inchi | InChI=1S/C66H68N8O23P4/c1-40-31-73(66(79)67-65(40)78)62-29-57(77)60(92-62)38-90-101(86,87)96-58-28-14-27-56-64(58)68-69-74(56)63-30-59(97-100(84,85)88-36-41(76)32-70-50-21-8-2-15-44(50)45-16-3-9-22-51(45)70)61(93-63)39-91-99(82,83)95-43(34-72-54-25-12-6-19-48(54)49-20-7-13-26-55(49)72)37-89-98(80,81)94-42(35-75)33-71-52-23-10-4-17-46(52)47-18-5-11-24-53(47)71/h2-28,31,41-43,57,59-63,75-77H,29-30,32-39H2,1H3,(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,67,78,79)/t41?,42?,43?,57-,59-,60+,61+,62+,63+/m0/s1 |
| InchiKey | BDBXUQXAJMSBKV-PXSIZJOXSA-N |
| Remark |
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