2-[(3R,6S,9R,14S,17R,20S,23R,26S,29R,32S,38S)-14-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-9-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-benzyl-20-[(2S)-butan-2-yl]-23,32-bis(3-carbamimidamidopropyl)-17-(hydroxymethyl)-6-(1H-imidazol-5-ylmethyl)-29-(2-methylsulfanylethyl)-2,5,8,16,19,22,25,28,31,34,37-undecaoxo-11,12-dithia-1,4,7,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-26-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[(3R,6S,9R,14S,17R,20S,23R,26S,29R,32S,38S)-14-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-9-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-benzyl-20-[(2S)-butan-2-yl]-23,32-bis(3-carbamimidamidopropyl)-17-(hydroxymethyl)-6-(1H-imidazol-5-ylmethyl)-29-(2-methylsulfanylethyl)-2,5,8,16,19,22,25,28,31,34,37-undecaoxo-11,12-dithia-1,4,7,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-26-yl]acetic acid
• 化学式: C₇₈H₁₂₁N₂₇O₁₉S₄
• 分子量: 1869.2
• InChiKey: AEEKWPOPJBWZJF-NVYMLHKJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.2
• 重原子数：
  128
• 可旋转键数：
  39
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  861
• 氢给体数：
  28
• 氢受体数：
  28