Table 3.
Telaprevir derivatives identified by a substructure search in the PubChem database.
| No. | PubChem CID | IUPAC Name | 2D structure |
|---|---|---|---|
| 1 | 10211927 | (3S,3aS,6aR)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2R)-3,3-dimethyl-2-[[(2S)-2-phenyl-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide |  |
| 2 | 143545956 | (3S,3aS,6aS)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-6-methylidene-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide |  |
| 3 | 67566659 | (1R,2S,3S,6R,7S)-4-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide |  |
| 4 | 42617119 | (1S,7R)-4-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide |  |
| 5 | 3011888 | (3S)–N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-phenyl-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide |  |
| 6 | 10283585 | (1S,3S,7R)-4-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide |  |
| 7 | 46241273 | (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide |  |
| 8 | 73356245 | (3S)–N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-phenyl-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide |  |
| 9 | 58907243 | (1S,2S,3S,6R,7R)-4-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide |  |
| 10 | 143044427 | (3aS,6aS)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-6-methylidene-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide |  |
| 11 | 58907310 | (2S,3S,6R)-4-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide |  |