| CAS No. | 884650-98-0 |
|---|---|
| MDL No. | N/A |
| MF | C35H48N6O8 |
| MW | 680.80 |
| InChI Key | IDBWWEGDLCFCTD-VNEMRZQUSA-N |
| Pack Size | Purity | Price | Availability | Action |
|---|---|---|---|---|
| - | - | On Request | On Request | |
| Custom synthesis and bulk supply options are available upon request. | ||||
N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-{(2S,3E)-5-(benzyloxy)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide is a tripeptide inhibitor of SARS-CoV-2 main protease. It functions as an antiviral, EC 3.4.22.69 inhibitor, and anticoronaviral agent. It is a tripeptide, a member of isoxazoles, pyrrolidin-2-ones, and a benzyl ester.
| CAS No. | 884650-98-0 |
|---|---|
| Product Name | (E)-(4S,6S)-8-Methyl-6-((S)-3-methyl-2-((S)-2-((5-methyl-isoxazole-3-carbonyl)-amino)-propionylamino)-butyrylamino)-5-oxo-4-((R)-2-oxo-pyrrolidin-3-ylmethyl)-non-2-enoic acid benzyl ester |
| Heavy Atom Count | 49 | Rotatable Bond Count | 17 |
| Atom Stereo Count | 5 | Bond Stereo Count | 1 |
| HBA | 9 | HBD | 5 |
| TPSA | 197.830 Ų | Charge | 0 |
| Exact Mass | 680.35336 | Complexity | 1487.75 |
| pKa | 5.875 | XLogP | 2.084 |
