Products 2945139-50-2
CAS 2945139-50-2 is the registry number for SARS-CoV-2 3CLpro-IN-14. Offered by: MedChemExpress. Available pack sizes: Get quote.
(1R,3S,4S)-2-[(2S)-2-(1-adamantyl)-2-(trifluoromethylsulfonylamino)acetyl]-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-azabicyclo[2.2.1]heptane-3-carboxamide (CAS 2945139-50-2) is a chemical compound with the molecular formula C34H40F3N5O6S2 and a molecular weight of 735.8 g/mol. IUPAC name: (1R,3S,4S)-2-[(2S)-2-(1-adamantyl)-2-(trifluoromethylsulfonylamino)acetyl]-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-azabicyclo[2.2.1]heptane-3-carboxamide. InChIKey: VQSZXJGGYUWDES-DDIMPBCQSA-N.
| Molecular formula | C34H40F3N5O6S2 |
|---|---|
| Molecular weight | 735.8 g/mol |
| IUPAC name | (1R,3S,4S)-2-[(2S)-2-(1-adamantyl)-2-(trifluoromethylsulfonylamino)acetyl]-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-azabicyclo[2.2.1]heptane-3-carboxamide |
| InChIKey | VQSZXJGGYUWDES-DDIMPBCQSA-N |
| SMILES | C1C[C@@H]2C[C@H]1[C@H](N2C(=O)[C@H](C34CC5CC(C3)CC(C5)C4)NS(=O)(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]6CCNC6=O)C(=O)C7=NC8=CC=CC=C8S7 |
Computed by PubChem (NCBI)
Synonyms:
SARS-CoV-2 3CLpro-IN-14