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| Standard English name | |
|---|---|
| Cas No. | 2231102-25-1 |
| Alias | 2-Chloro-3′-deoxy-N,N-bis[(1,1-dimethylethoxy)carbonyl]-5′-O-[2-ethoxy-1-(ethoxycarbonyl)-2-oxo-1-(phenylmethyl)ethyl]-3′-methyladenosine |
| Canonical Smiles | C[C@H]1[C@@H](O)[C@@H](O[C@@H]1COC(CC1C=CC=CC=1)(C(=O)OCC)C(=O)OCC)N1C=NC2=C(N=C(Cl)N=C12)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| MDL No. | |
| Exact Mass | 747.28824 |
| Smiles | O[C@@H]([C@H](N1C=NC2=C(N=C(Cl)N=C21)N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)O3)[C@H](C)[C@H]3COC(CC4=CC=CC=C4)(C(OCC)=O)C(OCC)=O |
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| Inchi | InChI=1S/C35H46ClN5O11/c1-10-47-28(43)35(29(44)48-11-2,17-21-15-13-12-14-16-21)49-18-22-20(3)24(42)27(50-22)40-19-37-23-25(40)38-30(36)39-26(23)41(31(45)51-33(4,5)6)32(46)52-34(7,8)9/h12-16,19-20,22,24,27,42H,10-11,17-18H2,1-9H3/t20-,22-,24-,27-/m1/s1 |
| InchiKey | NRGUPOVDWHZTKD-FCOWVFLDSA-N |
| Remark |
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