2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]propanamide;2-hydroxy-2-methyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]propanamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 2,2-dimethyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]propanamide;2-hydroxy-2-methyl-N-[(10S,21S)-12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,39-tetrazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29,31,33(36)-tetradecaen-13-yl]propanamide
• 化学式: C81H72N10O11
• 分子量: 1361.5
• InChiKey: WETCBRURBIKOJH-TWDJDFDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.08
• 重原子数：
  102
• 可旋转键数：
  6
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  283
• 氢给体数：
  7
• 氢受体数：
  17