2-[33,36-Dibenzyl-39-butan-2-yl-27-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-4-(2-methylpropyl)-2,9,12,19,22,25,28,31,34,37-decaoxo-6,16,41-trithia-3,10,13,20,23,26,29,32,35,38,43,44,45-tridecazatetracyclo[38.2.1.15,8.115,18]pentatetraconta-1(42),5(45),7,15(44),17,40(43)-hexaen-14-yl]acetamide

• 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
• 英文名称: 2-[33,36-Dibenzyl-39-butan-2-yl-27-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-4-(2-methylpropyl)-2,9,12,19,22,25,28,31,34,37-decaoxo-6,16,41-trithia-3,10,13,20,23,26,29,32,35,38,43,44,45-tridecazatetracyclo[38.2.1.15,8.115,18]pentatetraconta-1(42),5(45),7,15(44),17,40(43)-hexaen-14-yl]acetamide
• 英文别名: 2-[33,36-dibenzyl-39-butan-2-yl-27-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-4-(2-methylpropyl)-2,9,12,19,22,25,28,31,34,37-decaoxo-6,16,41-trithia-3,10,13,20,23,26,29,32,35,38,43,44,45-tridecazatetracyclo[38.2.1.15,8.115,18]pentatetraconta-1(42),5(45),7,15(44),17,40(43)-hexaen-14-yl]acetamide
• 化学式: C₆₁H₇₂N₁₄O₁₃S₃
• 分子量: 1305.5
• InChiKey: SGUAOSQPZLNEKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  91
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  498
• 氢给体数：
  13
• 氢受体数：
  19