(2S)-2-[[(1S,2S)-3-(3a,7a-dihydro-3H-indol-3-yl)-1-hydroxy-2-[[(R)-hydroxy-[(2R,3R,8R,10S,11S,13R,16R,17S,19S,20S)-2,10,13,16,19-pentahydroxy-17-[(4-hydroxyphenyl)methyl]-3-methyl-11-(2-methylpropyl)-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-8-yl]methyl]amino]propyl]amino]-N-[(1S,2S,5R)-1,5-diamino-1,5-dihydroxypentan-2-yl]-3-methylpentanamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-[[(1S,2S)-3-(3a,7a-dihydro-3H-indol-3-yl)-1-hydroxy-2-[[(R)-hydroxy-[(2R,3R,8R,10S,11S,13R,16R,17S,19S,20S)-2,10,13,16,19-pentahydroxy-17-[(4-hydroxyphenyl)methyl]-3-methyl-11-(2-methylpropyl)-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-8-yl]methyl]amino]propyl]amino]-N-[(1S,2S,5R)-1,5-diamino-1,5-dihydroxypentan-2-yl]-3-methylpentanamide
• 化学式: C₅₁H₉₁N₁₁O₁₁S₂
• 分子量: 1098.5
• InChiKey: FEOGSKJZYVUROR-IHQAEGMASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  75
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  422
• 氢给体数：
  19
• 氢受体数：
  23