Ibuzatrelvir
methyl N-[(2S)-1-[(2S,4R)-2-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]carbamoyl]-4-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Molecular Identity
Ibuzatrelvir
methyl N-[(2S)-1-[(2S,4R)-2-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]carbamoyl]-4-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID: 163362000
2D Structure
Properties
C21H30F3N5O5
Molecular Formula
489.50
Molecular Weight
g/mol
489.2199
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
141
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
863
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC(CC2CCNC2=O)C#N)C(F)(F)F)NC(=O)OCIsomeric SMILES
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]2CCNC2=O)C#N)C(F)(F)F)NC(=O)OCSynonyms(20)
Ibuzatrelvir2755812-39-4PF-07817883KZ2X7QH2VTmethyl N-[(2S)-1-[(2S,4R)-2-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]carbamoyl]-4-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamatemethyl N-((2S)-1-((2S,4R)-2-(((1S)-1-cyano-2-((3S)-2-oxopyrrolidin-3-yl)ethyl)carbamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamateRefChem:1087135Ibuzatrelvir (USAN)IBUZATRELVIR [USAN]ibuzatrelvir [INN]Ibuzatrelvir [WHO-DD]orb2277610CHEMBL5591580SCHEMBL24425305GTPL12897
Data from PubChem (NCBI)
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