Products 2413716-71-7
CAS 2413716-71-7 appears in our catalog under these names: SARS-CoV MPro-IN-1, MPro Inhibitor 11b. Offered by: TargetMol, GLPBio, Biosynth, MedChemExpress. Available pack sizes: 1mg, 10mg, 5mg, 25mg, 50mg, 1 mg.
3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide is a secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-fluoro-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.72 M). It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an anticoronaviral agent. It is a secondary carboxamide, an aldehyde, an oligopeptide, an indolecarboxamide, a member of pyrrolidin-2-ones and a member of monofluorobenzenes.
Source: ChEBI
| Molecular formula | C25H25FN4O4 |
|---|---|
| Molecular weight | 464.5 g/mol |
| IUPAC name | N-[(2S)-3-(3-fluorophenyl)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1H-indole-2-carboxamide |
| InChIKey | HCRBVFBQANEDDM-CUWPLCDZSA-N |
| SMILES | C1CNC(=O)[C@@H]1C[C@@H](C=O)NC(=O)[C@H](CC2=CC(=CC=C2)F)NC(=O)C3=CC4=CC=CC=C4N3 |
Computed by PubChem (NCBI)