Account Emitasvir diphosphate
- Catalog No. :
- ACDJDC135
- CAS No. :
- 2734870-15-4
- Molecular Formula :
- C49H64N8O14P2
- Molecular Weight :
- 1051.04
IUPAC Name:methyl ((S)-1-((S)-2-(5-(4-((1R,4S)-8-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-benzo[d]imidazol-6-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)phenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate bis(phosphate)
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Product Information
| Product Name | Emitasvir diphosphate |
|---|---|
| IUPAC Name | methyl ((S)-1-((S)-2-(5-(4-((1R,4S)-8-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-benzo[d]imidazol-6-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)phenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate bis(phosphate) |
| Molecular Formula | C49H64N8O14P2 |
| Molecular Weight | 1051.04 |
| SMILES | COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(C2=CC=C(C3=CC=C(C4=CC=C5N=C([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)NC5=C4)C4=C3[C@H]3CC[C@@H]4C3)C=C2)N1)C(C)C.O=P(O)(O)O.O=P(O)(O)O |
| InChI Key | KRUXCUGAHYWSKK-ZHMFATAFSA-N |
| Synonym | Emitasvir diphosphate;(1R,4S)-Yimitasvir diphosphate |
| CAS No. | 2734870-15-4 |
Synthetic Route by SureRoute
2. ACDJDC135 Molecular Building Block Synthetic Route
Methyl ((S)-1-((S)-2-(6-((1R,4S)-8-(4-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)phenyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate bis(phosphate)
Methyl ((S)-1-((S)-2-(6-((1R,4S)-8-(4-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)phenyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
Methyl N-[(1S)-1-[[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1H-benzimidazol-6-yl]-2-naphthalenyl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]carbamate dihydrochloride