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Home/Compounds/API/Simnotrelvir
C22H30F3N5O4S2
549.6 g/mol
API

(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

CAS2920904-06-7
Category
API
Compound Class
Peptide
Primary Use
Pharmaceutical Raw Material

This compound is a synthetic active pharmaceutical ingredient featuring a spirocyclic dithiane core with multiple amide groups and a nitrile moiety. It is primarily significant as a chemical entity used in pharmaceutical manufacturing and research, with its structure incorporating stereochemical precision for targeted applications.

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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CAS 2920904-06-7

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Identifiers
IUPAC Name

(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

InChIKey

LQBRGTAIBBFUJJ-ZQDZILKHSA-N

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

Synonyms (2)

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