17-(2-Amino-1-hydroxy-2-oxoethyl)-20-(2-amino-2-oxoethyl)-33-benzyl-14-[(4-bromophenyl)methyl]-5-hydroxy-39-(1-hydroxyethyl)-26,36-bis(hydroxymethyl)-30-(1-hydroxy-3-methyl-5-phenylpenta-2,4-dienyl)-3,9,13,16,19,22,25,28,32,35,38,41-dodecaoxo-2,8,12,15,18,21,24,27,31,34,37,40,44,46-tetradecazatricyclo[21.18.6.143,46]octatetraconta-43(48),44-diene-7-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 17-(2-Amino-1-hydroxy-2-oxoethyl)-20-(2-amino-2-oxoethyl)-33-benzyl-14-[(4-bromophenyl)methyl]-5-hydroxy-39-(1-hydroxyethyl)-26,36-bis(hydroxymethyl)-30-(1-hydroxy-3-methyl-5-phenylpenta-2,4-dienyl)-3,9,13,16,19,22,25,28,32,35,38,41-dodecaoxo-2,8,12,15,18,21,24,27,31,34,37,40,44,46-tetradecazatricyclo[21.18.6.143,46]octatetraconta-43(48),44-diene-7-carboxylic acid
• 英文别名: 17-(2-amino-1-hydroxy-2-oxoethyl)-20-(2-amino-2-oxoethyl)-33-benzyl-14-[(4-bromophenyl)methyl]-5-hydroxy-39-(1-hydroxyethyl)-26,36-bis(hydroxymethyl)-30-(1-hydroxy-3-methyl-5-phenylpenta-2,4-dienyl)-3,9,13,16,19,22,25,28,32,35,38,41-dodecaoxo-2,8,12,15,18,21,24,27,31,34,37,40,44,46-tetradecazatricyclo[21.18.6.143,46]octatetraconta-43(48),44-diene-7-carboxylic acid
• 化学式: C₆₉H₈₇BrN₁₆O₂₂
• 分子量: 1572.4
• InChiKey: RVEBMOYUBNIIPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  108
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  612
• 氢给体数：
  21
• 氢受体数：
  23