SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 205.68 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 205.0869564 g/mol |
| Monoisotopic Mass | 205.0869564 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 225 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
Boceprevir is a potent peptidomimetic protease inhibitor that features a unique structure with four distinct moieties: P1, P2, P3, and a Cap. The P1 moiety is a racemic β-aminoamide, which contributes to the compound's overall chirality. The P2 moiety stands out due to its chiral dimethylcyclopropylproline analog, which adopts a constrained conformation through its 3-azabicyclo[3.1.0]hexane structure. The P3 moiety is characterized by (S)-tert-leucine, while the Cap is a tert-butylcarbamoyl group.
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