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Danoprevir
- ITMN 191 - RG 7227 - R 7227
- Optical Purity: Optically pure
- Soluble in DMSO
- MF: C35H46FN5O9S
- MW: 731.83
Description
More Information
| Parent CAS No. | 850876-88-9 |
|---|---|
| Chemical Name | (2R,6S,13aS,14aR,16aS,Z)-6-(tert-butoxycarbonylamino)-14a-(cyclopropylsulfonylcarbamoyl)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoroisoindoline-2-carboxylate |
| SMILES | [C@@H]1(OC(N2CC3C(F)=CC=CC=3C2)=O)C[C@H]2C(N[C@@]3(C[C@H]3C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1)C(=O)NS(C1CC1)(=O)=O)=O |c:24,&1:0,15,18,20,28,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1 |
| InChiKey | ZVTDLPBHTSMEJZ-JSZLBQEHSA-N |
| CID | 11285588 |
| Short Description | HCV protease inhibitor |
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