2-[(1R,4S,10R,13R,16R,19S,25R)-10-[4-[2-[2-[5-[5-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-oxopentoxy]ethoxy]ethoxy]butanoyl]-13-benzyl-25-(3-carbamimidamidopropyl)-4-[4-[[5-[[(8E)-8-hydroxyimino-3-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 2-[(1R,4S,10R,13R,16R,19S,25R)-10-[4-[2-[2-[5-[5-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-4-oxopentoxy]ethoxy]ethoxy]butanoyl]-13-benzyl-25-(3-carbamimidamidopropyl)-4-[4-[[5-[[(8E)-8-hydroxyimino-3-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid
• 化学式: C₁₂₇H₂₁₅N₂₁O₄₅S₃
• 分子量: 2852.4
• InChiKey: MAGKZUOKKFTILJ-ULUTZWCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.3
• 重原子数：
  196
• 可旋转键数：
  115
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  990
• 氢给体数：
  22
• 氢受体数：
  52