Account 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
- Catalog No. :
- ACGVBU912
- CAS No. :
- 2058080-25-2
- Molecular Formula :
- C52H58FN9O8
- Molecular Weight :
- 956.09
IUPAC Name: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
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| Molecular Formula | C52H58FN9O8 |
| Molecular Weight | 956.09 |
| SMILES | FC1=C2C3=CC4=CC(C5=CN=C(N5)[C@@]6(CCCN6C([C@@H](NC(OC)=O)C(C)C)=O)[H])=CC=C4N3[C@]([H])(C7=CC=C8CCCOC8=C7)OC2=CC(C9=CN=C(N9)[C@@]%10(CCCN%10C([C@@H](NC(OC)=O)C(C)C)=O)[H])=C1 |
| InChI Key | XELUICQHKUXLAP-YTBPSGRCSA-N |
| Synonym | HCV-IN-4;Carbamic acid, N-[(1S)-1-[[(2S)-2-[5-[(6S)-6-(3,4-dihydro-2H-1-benzopyran-7-yl)-1-fluoro-10-[2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl est... |
| CAS No. | 2058080-25-2 |
Synthetic Route by SureRoute
2. ACGVBU912 Molecular Building Block Synthetic Route
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
Methyl ((2S)-1-((2S)-2-(5-(10-chloro-6-(5-cyclopropylthiophen-2-yl)-1-fluoro-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-3-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
methyl (2-((2S)-2-(5-(6-(5-cyclopropylthiophen-2-yl)-1-fluoro-3-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-10-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-oxoethyl)carbamate