Account Dimethyl ((2S,2'S)-((2S,2'S,3aS,3a'S,7aS,7a'S)-(1,4(1,4)-dibenzenacyclohexaphane-12,43-diylbis(1H-benzo[d]imidazole-6,2-diyl))bis(octahydro-1H-indole-2,1-diyl))bis(3-methyl-1-oxobutane-1,2-diyl))dicarbamate
- Catalog No. :
- ACXVBU399
- CAS No. :
- 1415119-52-6
- Molecular Formula :
- C60H72N8O6
- Molecular Weight :
- 1001.29
IUPAC Name:methyl ((S)-1-((2S,3aS,7aS)-2-(6-(43-(2-((2S,3aS,7aS)-1-((methoxycarbonyl)-L-valyl)octahydro-1H-indol-2-yl)-1H-benzo[d]imidazol-6-yl)-1,4(1,4)-dibenzenacyclohexaphane-12-yl)-1H-benzo[d]imidazol-2-yl)octahydro-1H-indol-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
![Dimethyl ((2S,2'S)-((2S,2'S,3aS,3a'S,7aS,7a'S)-(1,4(1,4)-dibenzenacyclohexaphane-12,43-diylbis(1H-benzo[d]imidazole-6,2-diyl))bis(octahydro-1H-indole-2,1-diyl))bis(3-methyl-1-oxobutane-1,2-diyl))dicarbamate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Dimethyl ((2S,2'S)-((2S,2'S,3aS,3a'S,7aS,7a'S)-(1,4(1,4)-dibenzenacyclohexaphane-12,43-diylbis(1H-benzo[d]imidazole-6,2-diyl))bis(octahydro-1H-indole-2,1-diyl))bis(3-methyl-1-oxobutane-1,2-diyl))dicarbamate |
|---|---|
| IUPAC Name | methyl ((S)-1-((2S,3aS,7aS)-2-(6-(43-(2-((2S,3aS,7aS)-1-((methoxycarbonyl)-L-valyl)octahydro-1H-indol-2-yl)-1H-benzo[d]imidazol-6-yl)-1,4(1,4)-dibenzenacyclohexaphane-12-yl)-1H-benzo[d]imidazol-2-yl)octahydro-1H-indol-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate |
| Molecular Formula | C60H72N8O6 |
| Molecular Weight | 1001.29 |
| SMILES | [H][C@@]1(CCCC[C@]1(C[C@]2(C3=NC4=CC=C(C=C4N3)C5=CC6=CC=C5CCC(C=C7C8=CC=C9N=C(NC9=C8)[C@@]%10(C[C@@]%11(CCCC[C@@]%11(N%10C([C@@H](NC(OC)=O)C(C)C)=O)[H])[H])[H])=CC=C7CC6)[H])[H])N2C([C@@H](NC(OC)=O)C(C)C)=O |
| InChI Key | LSYBRGMTRKJATA-IVEWBXRVSA-N |
| Synonym | Odalasvir (ACH-3102);Odalasvir;Carbamic acid, N,N'-[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[1H-benzimidazole-6,2-diyl[(2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl][(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester;Odaravir |
| CAS No. | 1415119-52-6 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACXVBU399 Molecular Building Block Synthetic Route
Methyl ((S)-1-((2S,3aS,7aS)-2-(6-(43-(2-((2S,3aS,7aS)-1-((methoxycarbonyl)-L-valyl)octahydro-1H-indol-2-yl)-1H-benzo[d]imidazol-6-yl)-1,4(1,4)-dibenzenacyclohexaphane-12-yl)-1H-benzo[d]imidazol-2-yl)octahydro-1H-indol-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate dihydrate
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 ((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)