(3S)-3-[[(2S)-4-[(3R,8R,11S,14S,17S,20S,23S,26S,29R)-3-[[(2R)-1-[(2S)-2-[[(2S)-5-acetamido-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17,26-bis(1H-indol-3-ylmethyl)-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-[(2R)-2-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid;[3-[2-[3-[3-[3-[2-[2-[2-[2-[2-[2-[[(5R)-5-carbamoyl-7-oxo-8-(4-oxohexanoylamino)octyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate

• 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: (3S)-3-[[(2S)-4-[(3R,8R,11S,14S,17S,20S,23S,26S,29R)-3-[[(2R)-1-[(2S)-2-[[(2S)-5-acetamido-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17,26-bis(1H-indol-3-ylmethyl)-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-[(2R)-2-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid;[3-[2-[3-[3-[3-[2-[2-[2-[2-[2-[2-[[(5R)-5-carbamoyl-7-oxo-8-(4-oxohexanoylamino)octyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
• 化学式: C178H260N23O48PS4
• 分子量: 3649.0
• InChiKey: HYLSMWJFOYWTFQ-GTECXGCZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  254
• 可旋转键数：
  116
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  1130
• 氢给体数：
  25
• 氢受体数：
  50