1-[2-[12-[3-(16-Amino-27-oxa-11,12-dithia-15,17-diazapentacyclo[16.12.0.04,9.022,30.025,29]triaconta-4,6,8,16,22(30),23,25,28-octaen-14-yl)cyclopentyl]-4,12-dimethyl-9-methylidenespiro[5-oxatricyclo[8.2.0.04,6]dodecane-7,3'-cyclopentane]-1'-yl]ethyl]cyclohexane-1,3-diol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异苯并呋喃
• 英文名称: 1-[2-[12-[3-(16-Amino-27-oxa-11,12-dithia-15,17-diazapentacyclo[16.12.0.04,9.022,30.025,29]triaconta-4,6,8,16,22(30),23,25,28-octaen-14-yl)cyclopentyl]-4,12-dimethyl-9-methylidenespiro[5-oxatricyclo[8.2.0.04,6]dodecane-7,3'-cyclopentane]-1'-yl]ethyl]cyclohexane-1,3-diol
• 英文别名: 1-[2-[12-[3-(16-amino-27-oxa-11,12-dithia-15,17-diazapentacyclo[16.12.0.04,9.022,30.025,29]triaconta-4,6,8,16,22(30),23,25,28-octaen-14-yl)cyclopentyl]-4,12-dimethyl-9-methylidenespiro[5-oxatricyclo[8.2.0.04,6]dodecane-7,3'-cyclopentane]-1'-yl]ethyl]cyclohexane-1,3-diol
• 化学式: C₅₆H₇₇N₃O₄S₂
• 分子量: 920.4
• InChiKey: UBICITBYWJWTHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  65
• 可旋转键数：
  5
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  167
• 氢给体数：
  4
• 氢受体数：
  7