[6-methyl-3-[5-methyl-2-(4-sulfamoylphenyl)-1H-pyrazol-3-ylidene]-4-oxocyclohexa-1,5-dien-1-yl] (2S)-6-[6-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-methylpentanoyl]amino]hexanoylamino]-2-[(4-azidobenzoyl)amino]hexanoate;[2-methyl-4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl (2R)-6-[[12-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]-2-[(4-azidobenzoyl)amino]hexanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: [6-methyl-3-[5-methyl-2-(4-sulfamoylphenyl)-1H-pyrazol-3-ylidene]-4-oxocyclohexa-1,5-dien-1-yl] (2S)-6-[6-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-methylpentanoyl]amino]hexanoylamino]-2-[(4-azidobenzoyl)amino]hexanoate;[2-methyl-4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl (2R)-6-[[12-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]-2-[(4-azidobenzoyl)amino]hexanoate
• 化学式: C95H116F3N21O17S4
• 分子量: 2009.3
• InChiKey: QSCWDGLBKBFFBH-CWOCVAKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.67
• 重原子数：
  140
• 可旋转键数：
  51
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  564
• 氢给体数：
  12
• 氢受体数：
  31