(2R)-2-[[(3R,6S,9R,12S,15R,20S,23R,26S,29R,32S)-3,6-bis(4-aminobutyl)-15-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-12-[(4-hydroxyphenyl)methyl]-29-[(4-methoxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carbonyl]amino]-5-carbamimidamidopentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2R)-2-[[(3R,6S,9R,12S,15R,20S,23R,26S,29R,32S)-3,6-bis(4-aminobutyl)-15-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-12-[(4-hydroxyphenyl)methyl]-29-[(4-methoxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carbonyl]amino]-5-carbamimidamidopentanoic acid
• 化学式: C₈₁H₁₃₇N₃₃O₁₈S₂
• 分子量: 1925.3
• InChiKey: WPTNAXMZUUPJAA-RHUPPTLMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.3
• 重原子数：
  134
• 可旋转键数：
  50
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  932
• 氢给体数：
  33
• 氢受体数：
  28