(2S)-2-[[(2S)-2-[[[(1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-4-benzyl-25,45-bis[(2S)-butan-2-yl]-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecahydroxy-60-(2-hydroxy-2-iminoethyl)-39-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-7,22-dimethyl-51-(2-methylpropyl)-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo[34.21.5.413,54]hexahexaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46,49,52,55,58,61-nonadecaen-31-yl]-hydroxymethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-3-(1H-indol-3-yl)propanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2S)-2-[[(2S)-2-[[[(1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-4-benzyl-25,45-bis[(2S)-butan-2-yl]-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecahydroxy-60-(2-hydroxy-2-iminoethyl)-39-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-7,22-dimethyl-51-(2-methylpropyl)-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo[34.21.5.413,54]hexahexaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46,49,52,55,58,61-nonadecaen-31-yl]-hydroxymethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-3-(1H-indol-3-yl)propanoic acid
• 化学式: C₉₈H₁₃₃N₂₃O₂₆S₄
• 分子量: 2177.5
• InChiKey: HQDWMGCEUREUTK-FYOZFPLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  151
• 可旋转键数：
  23
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  849
• 氢给体数：
  26
• 氢受体数：
  30