Bofutrelvir

Category	SARS-CoV
CAS	2103278-86-8

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Product Information

Synonyms	Bofutrelvir;UNII-T5UX5SKK2S;Mpro inhibitor 11A;2103278-86-8;T5UX5SKK2S;MPI-10;Coronavirus protease 3clpro inhibitor 11A;N-[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1H-indole-2-carboxamide;1H-Indole-2-carboxamide, N-((1S)-1-(cyclohexylmethyl)-2-(((1S)-1-formyl-2-((3S)-2-oxo-3-pyrrolidinyl)ethyl)amino)-2-oxoethyl)-;N-((S)-3-Cyclohexyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)-propan-2-yl)amino)propan-2-yl)-1H-indole-2-carboxamide;N-[(1S)-1-(cyclohexylmethyl)-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;1H-Indole-2-carboxamide, N-[(1S)-1-(cyclohexylmethyl)-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]-;N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide;bofutrelvir [INN];peptidomimetic aldehydes 11a;CHEMBL4796938;SCHEMBL23722671;GTPL11070;CHEBI:152560;BDBM420296;EX-A8666;FB2001;AKOS040755661;FB-2001;compound 11a [PMID: 32321856];DA-65664;DC402234;DC-402234;HY-133894;CS-0134902;
IUPAC Name	N-[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1H-indole-2-carboxamide
Molecular Weight	266.5
Molecular Formula	C11H15KOS2
Canonical SMILES	C1C[C@H]2[C@@H](C1)[C@H]3C[C@@H]2C[C@@H]3OC(=S)[S-].[K+]
InChI	InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1
InChIKey	HPKJGHVHQWJOOT-ZJOUEHCJSA-N
Appearance	Solid
Storage	-20°C, protect from light, stored under nitrogen *In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)