| 1001200-95-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1001200-95-8
• 化学式: C₇₀H₈₂N₁₀O₁₅
• 分子量: 1303.48
• InChiKey: XCCMNBBAIZTOHV-VAXWDXIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  95.0
• 可旋转键数：
  20.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  327.41
• 氢给体数：
  8.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Dynamic Disorder and Stepwise Deactivation in a Chymotrypsin Catalyzed Hydrolysis Reaction

  摘要：

  In situ observation of the catalytic activity of individual M-chymotrypsin enzymes reveals a novel pathway for spontaneous deactivation. Rather than deactivating abruptly in a one-step process, the enzyme seems to struggle for life; the activity decreases stepwise with intermittent inactive periods before deactivating irreversibly. During the active periods, dynamic disorder and memory effects are observed, originating from conformational fluctuations within the enzyme's structure.

  DOI：

  10.1021/ja077621d
• 作为产物：
  描述：

  (2S,2'S)-N,N'-(3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl)bis(2-amino-3-phenylpropanamide) 、 N-tert-butyloxycarbonyl-alanyl-alanyl-proline 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 四氢呋喃 为溶剂， 反应 10.0h， 以438 mg的产率得到
  参考文献：
  名称：

  Dynamic Disorder and Stepwise Deactivation in a Chymotrypsin Catalyzed Hydrolysis Reaction

  摘要：

  In situ observation of the catalytic activity of individual M-chymotrypsin enzymes reveals a novel pathway for spontaneous deactivation. Rather than deactivating abruptly in a one-step process, the enzyme seems to struggle for life; the activity decreases stepwise with intermittent inactive periods before deactivating irreversibly. During the active periods, dynamic disorder and memory effects are observed, originating from conformational fluctuations within the enzyme's structure.

  DOI：

  10.1021/ja077621d