5-[[1-[[1-[[1-[2-[[5-Amino-1-[[1-[[9-benzyl-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12,15-tri(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-(7-methyloctanoylamino)-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: 5-[[1-[[1-[[1-[2-[[5-Amino-1-[[1-[[9-benzyl-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12,15-tri(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-(7-methyloctanoylamino)-5-oxopentanoic acid
• 英文别名: 5-[[1-[[1-[[1-[2-[[5-amino-1-[[1-[[9-benzyl-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12,15-tri(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-(7-methyloctanoylamino)-5-oxopentanoic acid
• 化学式: C₇₇H₁₂₆N₁₄O₁₇
• 分子量: 1519.9
• InChiKey: NEPVMCVSNSCONF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  108
• 可旋转键数：
  36
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  459
• 氢给体数：
  14
• 氢受体数：
  18