Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LML1T9
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| Ligand Name |
Unii-T5UX5skk2S
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| Synonyms |
Bofutrelvir; UNII-T5UX5SKK2S; Mpro inhibitor 11A; 2103278-86-8; T5UX5SKK2S; MPI-10; 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; Coronavirus protease 3clpro inhibitor 11A; 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; 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; FB2001; FB-2001; compound 11a [PMID: 32321856]; DC402234; DC-402234; HY-133894; CS-0134902
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| Structure |
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Download2D MOL |
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| Formula |
C25H32N4O4
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| Canonical SMILES |
C1CCC(CC1)CC(C(=O)NC(CC2CCNC2=O)C=O)NC(=O)C3=CC4=CC=CC=C4N3
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| 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
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| InChIKey |
HPKJGHVHQWJOOT-ZJOUEHCJSA-N
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| PubChem Compound ID | ||||
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