Products 2861202-79-9

CAS 2861202-79-9 is the registry number for Deunirmatrelvir. Offered by: MedChemExpress. Available pack sizes: 1 mg.

Structural formula: {0} (CAS {1})

(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-5,5-dideuterio-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CAS 2861202-79-9) is a chemical compound with the molecular formula C23H32F3N5O4 and a molecular weight of 501.5 g/mol. IUPAC name: (1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-5,5-dideuterio-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide. InChIKey: LIENCHBZNNMNKG-USGSOOCSSA-N.

Identity
Molecular formulaC23H32F3N5O4
Molecular weight501.5 g/mol
IUPAC name(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-5,5-dideuterio-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
InChIKeyLIENCHBZNNMNKG-USGSOOCSSA-N
SMILES[2H]C1(C[C@H](C(=O)N1)C[C@@H](C#N)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)[2H]

Computed by PubChem (NCBI)