Account Monodes(N-carboxymethyl)valine Daclatasvir
- Catalog No. :
- ACIUFW093
- CAS No. :
- 1007884-60-7
- Molecular Formula :
- C33H39N7O3
- Molecular Weight :
- 581.72
IUPAC Name:methyl ((S)-3-methyl-1-oxo-1-((S)-2-(4-(4'-(2-((S)-pyrrolidin-2-yl)-1H-imidazol-4-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)butan-2-yl)carbamate
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Product Information
| Product Name | Monodes(N-carboxymethyl)valine Daclatasvir |
|---|---|
| IUPAC Name | methyl ((S)-3-methyl-1-oxo-1-((S)-2-(4-(4'-(2-((S)-pyrrolidin-2-yl)-1H-imidazol-4-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)butan-2-yl)carbamate |
| Molecular Formula | C33H39N7O3 |
| Molecular Weight | 581.72 |
| SMILES | COC(N[C@H](C(N1CCC[C@H]1C2=NC(C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CNC([C@H]6NCCC6)=N5)=CN2)=O)C(C)C)=O |
| InChI Key | BHLPGQSNBFUPQA-FMYROPPKSA-N |
| Synonym | Monodes(N-carboxymethyl)valine Daclatasvir;Daclatasvir impurity 14/Monodes(N-carboxymethyl)valine Daclatasvir/N-[(1S)-2-Methyl-1-[[(2S)-2-[5-[4’-[2-[(2S)-2-pyrrolidinyl]-1H-imidazol-5-yl][1,1’-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]propyl]carbamic Acid Methyl Ester;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-{5-[4-(4-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]butan-2-yl]carbamate;Daclatasvir Impurity 40;Methyl ((S)-3-methyl-1-oxo-1-((S)-2-(5-(4''-(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1''-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)butan-2-yl)carbamate;Carbamic acid, N-[(1S)-2-methyl-1-[[(2S)-2-[5-[4'-[2-[(2S)-2-pyrrolidinyl]-1H-imidazol-5-yl][1,1'-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]propyl]-, methyl ester;Daclatasvir Impurity F;Daclatasvir Monodes(N-carboxymethyl)valine: N-[(1S)-2-Methyl-1-[[(2S)-2-[5-[4'-[2-[(2S)-2-pyrrolidinyl]-1H-imidazol-5-yl][1,1'-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]propyl]carbamic Acid Methyl Ester |
| CAS No. | 1007884-60-7 |
| PubChem CID | 59668805 |
Synthetic Route by SureRoute
2. ACIUFW093 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