Cyclopenta[c]pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1- [2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl]octahydro-, (1S,3aR,6aS)- (CAS 402959-36-8) — formula C36H55N7O6, molecular weight 681.9; category organic chemicals.
| CAS Number | 402959-36-8 |
|---|---|
| Molecular Formula | C36H55N7O6 |
| Molecular Weight | 681.9 |
| LogP | 3.7 |
| Category | Organic Chemicals |
Cyclopenta[c]pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1- [2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl]octahydro-, (1S,3aR,6aS)- is a carbon-based organic compound with CAS registry number 402959-36-8 and molecular formula C36H55N7O6 (molecular weight 681.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 402959-36-8
Its molecular formula C36H55N7O6 comprises 36 C, 55 H, 7 N, 6 O atoms.
Also known as: Cyclopenta[c]pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1- [2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl]octahydro-, (1S,3aR,6aS)- · (1S,3AR,6AS)-(2S)-2-环己基-N-(2-吡嗪基羰基)甘氨酰-3-甲基-L-缬氨酰-N-[(1S)-1-[2-(环丙基氨基)-1-羟基-2-氧代乙基]丁基]八氢环戊并[C]吡咯-1-甲酰胺
Category: organic chemicals
The CAS registry number of Cyclopenta[c]pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1- [2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl]octahydro-, (1S,3aR,6aS)- is 402959-36-8.
Molecular formula C36H55N7O6, molecular weight 681.9.
It is also registered under: Cyclopenta[c]pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1- [2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl]octahydro-, (1S,3aR,6aS)-, (1S,3AR,6AS)-(2S)-2-环己基-N-(2-吡嗪基羰基)甘氨酰-3-甲基-L-缬氨酰-N-[(1S)-1-[2-(环丙基氨基)-1-羟基-2-氧代乙基]丁基]八氢环戊并[C]吡咯-1-甲酰胺.
Category: Organic Chemicals.
Independent reference data for Cyclopenta[c]pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1- [2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl]octahydro-, (1S,3aR,6aS)- (CAS 402959-36-8), compiled from public chemistry databases.
| CAS 号 | 402959-36-8 |
|---|---|
| PubChem CID | 23634854 |
| 分子式 | C36H55N7O6 |
| IUPAC 名称 | (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide |
| UNII（FDA） | ZDU3WB34L8 |
| Molecular Weight | 681.9 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 14 |
| Exact Mass | 681.42138250 |
| Monoisotopic Mass | 681.42138250 |
| Topological Polar Surface Area | 183 |
| Heavy Atom Count | 49 |
Telaprevir metabolite M3; 402959-36-8; ZDU3WB34L8; Telaprevir, (alpha-ketoamide bond reduced)-; TELAPREVIR, (.ALPHA.-KETOAMIDE BOND REDUCED)-; RefChem:203213; Telaprevir Hydroxy Impurity; UNII-ZDU3WB34L8; SCHEMBL328839; SCHEMBL13058621; FTZGWEAUHOMNIG-FAIVAVRGSA-N
(1S,3AR,6AS)-(2S)-2-环己基-N-(2-吡嗪基羰基)甘氨酰-3-甲基-L-缬氨酰-N-[(1S)-1-[2-(环丙基氨基)-1-羟基-2-氧代乙基]丁基]八氢环戊并[C]吡咯-1-甲酰胺 · CAS 402959-36-8 · C36H55N7O6. UNII ZDU3WB34L8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.