Account Vaniprevir
- Catalog No. :
- ACRJTC408
- CAS No. :
- 923590-37-8
- Molecular Formula :
- C38H55N5O9S
- Molecular Weight :
- 757.95
IUPAC Name:(5R,7S,10S)-10-(tert-butyl)-N-((1R,2R)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethylcyclopropyl)-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,3H,5H-2,23:5,8-dimethanobenzo[n][1,10]dioxa[3,6,12]triazacyclohenicosine-7-carboxamide
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Product Information
| Product Name | Vaniprevir |
|---|---|
| IUPAC Name | (5R,7S,10S)-10-(tert-butyl)-N-((1R,2R)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethylcyclopropyl)-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,3H,5H-2,23:5,8-dimethanobenzo[n][1,10]dioxa[3,6,12]triazacyclohenicosine-7-carboxamide |
| Molecular Formula | C38H55N5O9S |
| Molecular Weight | 757.95 |
| SMILES | O=S(NC([C@@]1(NC([C@H]2N(C([C@@H](NC(OCC(CCCC3)(C)C)=O)C(C)(C)C)=O)C[C@H](OC(N4CC5=C3C=CC=C5C4)=O)C2)=O)C[C@H]1CC)=O)(C6CC6)=O |
| InChI Key | KUQWGLQLLVFLSM-ONAXAZCASA-N |
| Synonym | VANIPREVIR [MI] | Vaniprevir [USAN] | LP00568 | VANIPREVIR [WHO-DD] | GTPL11570 | BDBM103836 | 3su6 | VANIPREVIR [JAN] | Cyclopropanecarboxamide, N-(((6-(2-carboxy-2,3-dihydro-1H-isoindol-4-yl)-2,2-dimethylhexyl)oxy)carbonyl)-3-methyl-L-valyl-(4R)-4-hydro |
| CAS No. | 923590-37-8 |
| PubChem CID | 24765256 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACRJTC408 Molecular Building Block Synthetic Route
1-(2-((tert-butoxycarbonyl)amino)-3,3-dimethylbutanoyl)-5-(((1R)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)pyrrolidin-3-yl 4-fluoroisoindoline-2-carboxylate
(2R,6S,13aS,14aR,16aS,Z)-6-((tert-Butoxycarbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-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
(2R,6S,13aS,14aR,16aS,Z)-6-((tert-Butoxycarbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-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, sodium salt