Account Paritaprevir dihydrate
- Catalog No. :
- ACZSTQ358
- CAS No. :
- 1456607-71-8
- Molecular Formula :
- C40H47N7O9S
- Molecular Weight :
- 801.92
IUPAC Name:(2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide dihydrate
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Product Information
| Product Name | Paritaprevir dihydrate |
|---|---|
| IUPAC Name | (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide dihydrate |
| Molecular Formula | C40H47N7O9S |
| Molecular Weight | 801.92 |
| SMILES | O=C([C@]([C@]1([H])/C=C\CCCCC[C@@H]2NC(C3=NC=C(C)N=C3)=O)(C1)NC([C@@](C[C@@H](OC4=C5C=CC=CC5=C(C=CC=C6)C6=N4)C7)([H])N7C2=O)=O)NS(=O)(C8CC8)=O.[H]O[H].[H]O[H] |
| InChI Key | AWGQIDLXYMGEEH-RHSIAEQTSA-N |
| Synonym | Paritaprevir dihydrate |
| CAS No. | 1456607-71-8 |
Synthetic Route by SureRoute
2. ACZSTQ358 Molecular Building Block Synthetic Route
(2R,6S,13aS,14aR,16aS,Z)-N-(Cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide
N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide
tert-Butyl ((S)-1-((2S,4R)-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)-4-((6-methoxyisoquinolin-1-yl)oxy)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate