N-((3S,6R)-6-((S,E)-4-Ethoxycarbonyl-1-((S)-2-oxopyrrolidin-3-YL)but-3-EN-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-EN-3-YL)-5-methylisoxazole-3-carboxamide结构式
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常用名 | N-((3S,6R)-6-((S,E)-4-Ethoxycarbonyl-1-((S)-2-oxopyrrolidin-3-YL)but-3-EN-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-EN-3-YL)-5-methylisoxazole-3-carboxamide | 英文名 | N-((3S,6R)-6-((S,E)-4-Ethoxycarbonyl-1-((S)-2-oxopyrrolidin-3-YL)but-3-EN-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-EN-3-YL)-5-methylisoxazole-3-carboxamide |
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| CAS号 | 869494-29-1 | 分子量 | 558.7 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C29H42N4O7 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 英文名 | N-((3S,6R)-6-((S,E)-4-Ethoxycarbonyl-1-((S)-2-oxopyrrolidin-3-YL)but-3-EN-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-EN-3-YL)-5-methylisoxazole-3-carboxamide |
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| 分子式 | C29H42N4O7 |
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| 分子量 | 558.7 |
| InChIKey | CSNQHKJCKPMZCY-YFUAOJPXSA-N |
| SMILES | CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC=C(C)C)CC(=O)C(NC(=O)c1cc(C)on1)C(C)C |
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实验名称:Inactivation rate constant against SARS-CoV 3CLpro protease
来源:ChEMBL
靶标:Replicase polyprotein 1a
External Id:CHEMBL881908
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实验名称:Inhibition of SARS-CoV 3C-like protease by FRET based microplate assay
来源:ChEMBL
靶标:Replicase polyprotein 1ab
External Id:CHEMBL898907
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实验名称:Half life period against SARS-CoV 3CLpro protease
来源:ChEMBL
靶标:Replicase polyprotein 1a
External Id:CHEMBL880476
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实验名称:Antiviral activity against SARS coronavirus
来源:ChEMBL
靶标:Severe acute respiratory syndrome-related coronavirus
External Id:CHEMBL898908
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实验名称:Experimentally measured binding affinity data (IC50) for protein-ligand complexes der...
来源:Shanghai Institute of Organic Chemistry
靶标:N/A
External Id:PDBbind-IC50 for protein-ligand complexes
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