Ibuzatrelvir

Category	SARS-CoV
CAS	2755812-39-4

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Synonyms	Ibuzatrelvir;2755812-39-4;PF-07817883;Ibuzatrelvir (USAN);IBUZATRELVIR [USAN];ibuzatrelvir [INN];KZ2X7QH2VT;SCHEMBL24425305;GTPL12897;EX-A8556;compound 9 [PMID: 38687966];DA-54226;Example 95 [US20220257563];HY-156654;CS-0887282;PF07817883;D12726;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;methyl N-{(2S)-1-[(2S,4R)-(2-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}carbamoyl)-4-(trifluromethyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate;N-(Methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-4-(trifluoromethyl)-L-prolinamide;N-Methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1S)-1-cyano-2-((3S)-2-oxopyrrolidin-3-yl)ethyl]-4-(trifluoromethyl)-L-prolinamide;
IUPAC Name	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 Weight	225.3
Molecular Formula	C5H16NNaO3S2
Canonical SMILES	CCN(CC)C(=S)[S-].O.O.O.[Na+]
InChI	InChI=1S/C21H30F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h11-15H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1
InChIKey	WGNWEPPRWQKSKI-AIEDFZFUSA-N
Appearance	Solid
Storage	4°C, sealed storage, away from moisture *In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)