1-[4-(8-Acetyl-12-ethyl-5,6-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl)-12-ethyl-5,6-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 冬青素型生物碱
• 英文名称: 1-[4-(8-Acetyl-12-ethyl-5,6-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl)-12-ethyl-5,6-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
• 英文别名: 1-[4-(8-acetyl-12-ethyl-5,6-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl)-12-ethyl-5,6-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
• 化学式: C₄₂H₅₄N₄O₆
• 分子量: 710.9
• InChiKey: IHYAUFGYMGJYKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  52
• 可旋转键数：
  3
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• HIMASTATIN DERIVATIVES, AND PROCESSES OF PREPARATION THEREOF, AND USES THEREOF
  申请人：Massachusetts Institute of Technology

  公开号：US20220289750A1

  公开（公告）日：2022-09-15

  The present disclosure provides compounds of Formula I, methods of preparing the compounds, compositions, kits, and methods of using the compounds for treating or preventing microbial infections.