Account 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)
- Catalog No. :
- ACTLJX467
- CAS No. :
- 1959593-63-5
- Molecular Formula :
- C49H64N8O14P2
- Molecular Weight :
- 1051.04
IUPAC Name:methyl ((S)-1-((S)-2-(5-(4-((1S,4R)-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)
![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) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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) |
|---|---|
| IUPAC Name | methyl ((S)-1-((S)-2-(5-(4-((1S,4R)-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 | O=P(O)(O)O.COC(N[C@@H](C(C)C)C(N1[C@](CCC1)([H])C2=NC3=CC=C(C4=C5C([C@H]6C[C@@H]5CC6)=C(C7=CC=C(C8=CN=C([C@@]9([H])N(CCC9)C([C@H](C(C)C)NC(OC)=O)=O)N8)C=C7)C=C4)C=C3N2)=O)=O.O=P(O)(O)O |
| InChI Key | KRUXCUGAHYWSKK-RTNSEEPCSA-N |
| Synonym | Carbamic acid, N-[(1S)-2-methyl-1-[[(2S)-2-[5-[4-[(1S,4R)-1,2,3,4-tetrahydro-8-[2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1H-benzimidazol-6-yl]-1,4-methanonaphthalen-5-yl]phenyl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]propyl]-, methyl ester, phosphate (1:2) |
| CAS No. | 1959593-63-5 |
Synthetic Route by SureRoute
2. ACTLJX467 Molecular Building Block Synthetic Route
Emitasvir diphosphate
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