Account NS5A-IN-4
- Catalog No. :
- ACQEKK323
- CAS No. :
- 2088243-03-0
- Molecular Formula :
- C47H48N8O6
- Molecular Weight :
- 820.95
IUPAC Name:methyl ((R)-2-((S)-2-(5-((5-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-2-yl)buta-1,3-diyn-1-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate
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Product Information
| Product Name | NS5A-IN-4 |
|---|---|
| IUPAC Name | methyl ((R)-2-((S)-2-(5-((5-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-2-yl)buta-1,3-diyn-1-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate |
| Molecular Formula | C47H48N8O6 |
| Molecular Weight | 820.95 |
| SMILES | O=C(OC)N[C@H](C1=CC=CC=C1)C(N2[C@H](C3=NC=C(C#CC#CC4=CC=C(C5=CN=C([C@H]6N(C([C@H](C(C)C)NC(OC)=O)=O)CCC6)N5)C=C4C7=CC=CC=C7)N3)CCC2)=O |
| InChI Key | IQVKTVMOKCCANC-SXXQQZPASA-N |
| Synonym | Carbamic acid, N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1H-imidazol-5-yl][1,1'-biphenyl]-2-yl]-1,3-butadiyn-1-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]-2-oxo-1-phenylethyl]-, methyl ester |
| CAS No. | 2088243-03-0 |
Synthetic Route by SureRoute
2. ACQEKK323 Molecular Building Block Synthetic Route
methyl (1-(2-(5-(4-((2-(1-((methoxycarbonyl)valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)buta-1,3-diyn-1-yl)phenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
NS5A-IN-2
methyl ((R)-2-((2S,4S)-2-(5-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate