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| Standard English name | |
|---|---|
| Cas No. | 324518-20-9 |
| Alias | lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy(3-hydroxy-2,2-dimethyl-4-((3-((2-(octanoylthio)ethyl)amino)-3-oxopropyl)amino)-4-oxobutoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogen phosphate hydrate |
| Canonical Smiles | [Li+].O.CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])(O)=O)N1C=NC2=C(N)N=CN=C12 |
| MDL No. | |
| Exact Mass | 917.23842 |
| Smiles | CCCCCCCC(SCCNC(CCNC(C(O)C(C)(COP(O)(OP(O)(OC[C@@H]1[C@@H](OP(O)([O-])=O)[C@@H](O)[C@H](N2C=NC3=C(N)N=CN=C32)O1)=O)=O)C)=O)=O)=O.[Li+].O |
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| Inchi | InChI=1S/C29H50N7O17P3S.Li.H2O/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36;;/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44);;1H2/q;+1;/p-1/t18-,22-,23-,24?,28-;;/m1../s1 |
| InchiKey | IPSMFNYZOJIHQV-WLJQAKOVSA-M |
| Remark |
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