Account Methyl ((S)-1-((S)-2-(1-acetyl-5-(4'-(1-acetyl-2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
- Catalog No. :
- ACBUHX436
- CAS No. :
- 1800502-75-3
- Molecular Formula :
- C44H54N8O8
- Molecular Weight :
- 822.96
IUPAC Name:methyl ((S)-1-((S)-2-(1-acetyl-5-(4'-(1-acetyl-2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
![Methyl ((S)-1-((S)-2-(1-acetyl-5-(4'-(1-acetyl-2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Methyl ((S)-1-((S)-2-(1-acetyl-5-(4'-(1-acetyl-2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate |
|---|---|
| IUPAC Name | methyl ((S)-1-((S)-2-(1-acetyl-5-(4'-(1-acetyl-2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate |
| Molecular Formula | C44H54N8O8 |
| Molecular Weight | 822.96 |
| SMILES | C(C)(=O)N1C(=NC=C1C2=CC=C(C=C2)C3=CC=C(C=C3)C=4N(C(C)=O)C(=NC4)[C@H]5N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC5)[C@H]6N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC6 |
| InChI Key | CLVRXEFYIJQENA-JOJDORDVSA-N |
| Synonym | N-Acetyl Daclatasvir;Daclatasvir Impurity G;Daclatasvir Di-Acetyl Impurity;Daclatasvir impurity 9/N-Acetyl Daclatasvir/Dimethyl ((2S,2'S)-(2,2'-(5,5'-([1,1'-Biphenyl]-4,4'-diyl)bis(1-acetyl-1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate;daclatasvir ACETYL impurity;Carbamic acid, N-[(1S)-1-[[(2S)-2-[1-acetyl-5-[4'-[1-acetyl-2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1H-imidazol-5-yl][1,1'-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl ester;Acetyl daclatasvir |
| CAS No. | 1800502-75-3 |
Synthetic Route by SureRoute
2. ACBUHX436 Molecular Building Block Synthetic Route
Methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
Methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate dihydrochloride
Methyl ((R)-1-((S)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-D-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate