Account Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate
- Catalog No. :
- ACNOXI236
- CAS No. :
- 1370468-36-2
- Molecular Formula :
- C49H55N9O7
- Molecular Weight :
- 882.03
IUPAC Name:dimethyl ((2S,2'S)-((2S,2'S)-(((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-1,2-diyl))dicarbamate
![Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate |
|---|---|
| IUPAC Name | dimethyl ((2S,2'S)-((2S,2'S)-(((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-1,2-diyl))dicarbamate |
| Molecular Formula | C49H55N9O7 |
| Molecular Weight | 882.03 |
| SMILES | O=C([C@@H](NC(OC)=O)C(C)C)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C4C(C=C5N4[C@@H](OC6=CC(C7=CN=C(N7)[C@@H]8CCCN8C([C@@H](NC(OC)=O)C(C)C)=O)=CC=C56)C9=CC=CC=C9)=C3 |
| InChI Key | BVAZQCUMNICBAQ-PZHYSIFUSA-N |
| Synonym | AKOS030526458 | ELBASVIR [MI] | HY-15789 | Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate | EX-A288 |
| CAS No. | 1370468-36-2 |
| PubChem CID | 71661251 |
Synthetic Route by SureRoute
2. ACNOXI236 Molecular Building Block Synthetic Route
Dimethyl ((2S,2'S)-((2S,2'S)-(((S)-6-(chroman-7-yl)-1-fluoro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-1,2-diyl))dicarbamate
di-tert-Butyl 2,2'-(((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) 4-nitrobenzoate
(S)-6-Phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole dihydrochloride