[4-[[2-Benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[2-(butanoylamino)propanoylamino]-4-oxobutan-2-yl] 2-(butanoylamino)propanoate

• 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: [4-[[2-Benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[2-(butanoylamino)propanoylamino]-4-oxobutan-2-yl] 2-(butanoylamino)propanoate
• 英文别名: [4-[[2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[2-(butanoylamino)propanoylamino]-4-oxobutan-2-yl] 2-(butanoylamino)propanoate
• 化学式: C₅₅H₇₆BrN₉O₁₅
• 分子量: 1183.1
• InChiKey: UVUVPBUBGSANFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  80
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  337
• 氢给体数：
  9
• 氢受体数：
  15