2-[5-(6-Amino-1,2-dihydropyridin-4-yl)-4-[[5-[6-[2-[3-[[(2-cyclopentyl-2-hydroxyethyl)amino]methoxy]-4-hydroxyphenyl]ethyl]-4-hydroxy-3-(2-hydroxyethyl)oxan-2-yl]-2-hydroxy-3-methoxyphenoxy]methyl]-2-methylspiro[1,2,3,4,5,6,7a,8,9,10-decahydrocyclopenta[e]isoquinoline-7,1'-cyclopentane]-4a-yl]acetic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2-[5-(6-Amino-1,2-dihydropyridin-4-yl)-4-[[5-[6-[2-[3-[[(2-cyclopentyl-2-hydroxyethyl)amino]methoxy]-4-hydroxyphenyl]ethyl]-4-hydroxy-3-(2-hydroxyethyl)oxan-2-yl]-2-hydroxy-3-methoxyphenoxy]methyl]-2-methylspiro[1,2,3,4,5,6,7a,8,9,10-decahydrocyclopenta[e]isoquinoline-7,1'-cyclopentane]-4a-yl]acetic acid
• 英文别名: 2-[5-(6-amino-1,2-dihydropyridin-4-yl)-4-[[5-[6-[2-[3-[[(2-cyclopentyl-2-hydroxyethyl)amino]methoxy]-4-hydroxyphenyl]ethyl]-4-hydroxy-3-(2-hydroxyethyl)oxan-2-yl]-2-hydroxy-3-methoxyphenoxy]methyl]-2-methylspiro[1,2,3,4,5,6,7a,8,9,10-decahydrocyclopenta[e]isoquinoline-7,1'-cyclopentane]-4a-yl]acetic acid
• 化学式: C₅₅H₈₀N₄O₁₁
• 分子量: 973.2
• InChiKey: GJWVNZGFSDXRJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  70
• 可旋转键数：
  19
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  238
• 氢给体数：
  10
• 氢受体数：
  15