Primary Record
simnotrelvir
- In stock
- 7,675 g
- Purity
- 99.6 %
- CAS
- 2920904-06-7
Compound Identifiers & Properties
- CAS
- 2920904-06-7
- PubChem CID
- 168476146
- SMILES
- CC(C)(C)[C@@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(F)F
- Canonical SMILES
- CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC2(C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)SCCS2
Names & Synonyms
- simnotrelvir
- SARS-CoV-2-IN-41
- SIM0417
- orb1944303
- CHEMBL5428739
- EX-A8429
- MSK179392
- 2920904-06-7
- DA-57680
- HY-154965
- CS-0867262
- H41024
- (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
- (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
- (S)-N-((S)-1-Cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)-7-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
- na