[3-[2-(Butanoylamino)propanoylamino]-4-[[15-butan-2-yl-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-(1-hydroxyethyl)-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]-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: [3-[2-(Butanoylamino)propanoylamino]-4-[[15-butan-2-yl-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-(1-hydroxyethyl)-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]-4-oxobutan-2-yl] 2-(butanoylamino)propanoate
• 英文别名: [3-[2-(butanoylamino)propanoylamino]-4-[[15-butan-2-yl-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-(1-hydroxyethyl)-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]-4-oxobutan-2-yl] 2-(butanoylamino)propanoate
• 化学式: C₅₂H₈₀ClN₉O₁₆
• 分子量: 1122.7
• InChiKey: GCJRSKZBAYFZEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  78
• 可旋转键数：
  20
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  358
• 氢给体数：
  10
• 氢受体数：
  16