2-[[2-(Butanoylamino)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)propanoyl]amino]-5-[[8-butan-2-yl-5-(cyclohexa-1,3-dien-1-ylmethyl)-19-hydroxy-11-methyl-3,6,9,13,20-pentaoxo-2-propan-2-yl-10-oxa-1,4,7,15-tetrazabicyclo[14.3.1]icosan-12-yl]amino]-5-oxopentanoic 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: 2-[[2-(Butanoylamino)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)propanoyl]amino]-5-[[8-butan-2-yl-5-(cyclohexa-1,3-dien-1-ylmethyl)-19-hydroxy-11-methyl-3,6,9,13,20-pentaoxo-2-propan-2-yl-10-oxa-1,4,7,15-tetrazabicyclo[14.3.1]icosan-12-yl]amino]-5-oxopentanoic acid
• 英文别名: 2-[[2-(butanoylamino)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)propanoyl]amino]-5-[[8-butan-2-yl-5-(cyclohexa-1,3-dien-1-ylmethyl)-19-hydroxy-11-methyl-3,6,9,13,20-pentaoxo-2-propan-2-yl-10-oxa-1,4,7,15-tetrazabicyclo[14.3.1]icosan-12-yl]amino]-5-oxopentanoic acid
• 化学式: C₄₈H₇₁N₇O₁₃
• 分子量: 954.1
• InChiKey: CZDXAQSBHYQGTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  68
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  299
• 氢给体数：
  9
• 氢受体数：
  14