Cyclopenta(c)pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydro-, (1S,3aR,6aS)- (CAS 402957-28-2) — formula C36H53N7O6, molecular weight 679.8; category organic chemicals.
| CAS Number | 402957-28-2 |
|---|---|
| Molecular Formula | C36H53N7O6 |
| Molecular Weight | 679.8 |
| LogP | 4.2 |
| Category | Organic Chemicals |
Cyclopenta(c)pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydro-, (1S,3aR,6aS)- is a carbon-based organic compound with CAS registry number 402957-28-2 and molecular formula C36H53N7O6 (molecular weight 679.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 402957-28-2
Its molecular formula C36H53N7O6 comprises 36 C, 53 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-((cyclopropylamino)oxoacetyl)butyl)octahydro-, (1S,3aR,6aS)- · 特拉匹韦, 丙型肝炎病毒(HCV)NS3-4A丝氨酸蛋白酶抑制剂
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-((cyclopropylamino)oxoacetyl)butyl)octahydro-, (1S,3aR,6aS)- is 402957-28-2.
Molecular formula C36H53N7O6, molecular weight 679.8.
It is also registered under: Cyclopenta(c)pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydro-, (1S,3aR,6aS)-, 特拉匹韦, 丙型肝炎病毒(HCV)NS3-4A丝氨酸蛋白酶抑制剂.
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-((cyclopropylamino)oxoacetyl)butyl)octahydro-, (1S,3aR,6aS)- (CAS 402957-28-2), compiled from public chemistry databases.
| CAS 号 | 402957-28-2 |
|---|---|
| PubChem CID | 3010818 |
| 分子式 | C36H53N7O6 |
| 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)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide |
| UNII（FDA） | 655M5O3W0U |
| Molecular Weight | 679.8 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 14 |
| Exact Mass | 679.40573244 |
| Monoisotopic Mass | 679.40573244 |
| Topological Polar Surface Area | 180 |
| Heavy Atom Count | 49 |
| Solubility | 0.0047 |
|---|---|
| Solubility | In water, 0.0047 mg/mL |
| Solubility | 3.55e-02 g/L |
Telaprevir; 402957-28-2; VX-950; Incivek; Incivo; MP-424; VX 950; LY-570310; MP 424; VRT 111950; VRT-111950; VX950 cpd; LY 570310; CHEBI:68595; 655M5O3W0U; DTXSID40193304
| GHS 通报统计 | 9.1% (1 / 11) |
|---|
| GHS 通报统计 | 9.1% (1 / 11) |
|---|---|
| 已通报的危害声明 | H302 (90.9%) |
特拉匹韦, 丙型肝炎病毒(HCV)NS3-4A丝氨酸蛋白酶抑制剂 · CAS 402957-28-2 · C36H53N7O6. UNII 655M5O3W0U. Solubility: 0.0047; Solubility: In water, 0.0047 mg/mL; Solubility: 3.55e-02 g/L.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.