Account 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
- Catalog No. :
- ACTYVM927
- CAS No. :
- 2090706-83-3
- Molecular Formula :
- C60H76N8O8
- Molecular Weight :
- 1037.32
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 dihydrate
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product 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 dihydrate |
|---|---|
| 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 dihydrate |
| Molecular Formula | C60H76N8O8 |
| Molecular Weight | 1037.32 |
| SMILES | CC([C@H](NC(OC)=O)C(N1[C@H]2CCCC[C@H]2C[C@H]1C3=NC4=C(C=C(C5=C6CCC7=CC(C8=CC9=C(N=C([C@@H]%10C[C@@H]%11CCCC[C@@H]%11N%10C([C@@H](NC(OC)=O)C(C)C)=O)N9)C=C8)=C(C=C7)CCC(C=C6)=C5)C=C4)N3)=O)C.O.O |
| InChI Key | HNVFJWRQGPHREH-KDRULICVSA-N |
| Synonym | 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, hydrate (1:2) |
| CAS No. | 2090706-83-3 |
Synthetic Route by SureRoute
2. ACTYVM927 Molecular Building Block Synthetic Route
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
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)