Account (1R,2S)-1-((2S,4R)-4-((8-Bromo-2-(2-isobutyramidothiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-2-vinylcyclopropane-1-carboxylic acid
- Catalog No. :
- ACSCUI352
- CAS No. :
- 801283-95-4
- Molecular Formula :
- C40H49BrN6O9S
- Molecular Weight :
- 869.84
IUPAC Name:(1R,2S)-1-((2S,4R)-4-((8-bromo-2-(2-isobutyramidothiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-2-vinylcyclopropane-1-carboxylic acid
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Product Information
| Product Name | (1R,2S)-1-((2S,4R)-4-((8-Bromo-2-(2-isobutyramidothiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-2-vinylcyclopropane-1-carboxylic acid |
|---|---|
| IUPAC Name | (1R,2S)-1-((2S,4R)-4-((8-bromo-2-(2-isobutyramidothiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-2-vinylcyclopropane-1-carboxylic acid |
| Molecular Formula | C40H49BrN6O9S |
| Molecular Weight | 869.84 |
| SMILES | N(C(=O)[C@H]1N(C([C@@H](NC(OC2CCCC2)=O)[C@@](C)(C)C)=O)C[C@H](OC=3C4=C(N=C(C3)C=5N=C(NC(C(C)C)=O)SC5)C(Br)=C(OC)C=C4)C1)[C@@]6(C(O)=O)[C@H](C=C)C6 |
| InChI Key | LLGDPTDZOVKFDU-XUHJSTDZSA-N |
| Synonym | BI 201335;Faldaprevir;Faldaprevir(BI 201335);(1R,2S)-N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[[8-bromo-7-methoxy-2-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-L-prolyl-1-amino-2-ethenyl-cyclopropanecarboxylic acid;BI201335; BI 201335; BI-201335;Faldaprevir-d7;Cyclopropanecarboxylic acid, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[[8-bromo-7-methoxy-2-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-L-prolyl-1-amino-2-ethenyl-, (1R,2S)- |
| CAS No. | 801283-95-4 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P280-P305+P351+P338
Synthetic Route by SureRoute
2. ACSCUI352 Molecular Building Block Synthetic Route
Faldaprevir sodium
(2R,6S,13aS,14aR,16aS,Z)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxo-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)-carboxylic acid
BI-1230