N'-[4-[(3S,6S,9S,12S,15S,20S,23S,26S,29S,32S)-20-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-9,23-bis[3-(carbamoylamino)propyl]-15-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-fluorobenzoyl)amino]pentanoyl]amino]pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6,26-bis[3-(diaminomethylideneamino)propyl]-12,29-bis[(4-hydroxyphenyl)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]pentatriacontan-3-yl]butyl]-N-[8-[4-[[2-(4-chloroanilino)-2-oxoacetyl]amino]piperidin-1-yl]octyl]butanediamide

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: N'-[4-[(3S,6S,9S,12S,15S,20S,23S,26S,29S,32S)-20-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-9,23-bis[3-(carbamoylamino)propyl]-15-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-fluorobenzoyl)amino]pentanoyl]amino]pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6,26-bis[3-(diaminomethylideneamino)propyl]-12,29-bis[(4-hydroxyphenyl)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]pentatriacontan-3-yl]butyl]-N-[8-[4-[[2-(4-chloroanilino)-2-oxoacetyl]amino]piperidin-1-yl]octyl]butanediamide
• 化学式: C₁₂₂H₁₇₉ClFN₃₉O₂₃S₂
• 分子量: 2678.6
• InChiKey: OQQBJAMSZBPMME-PZMPMIOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  188
• 可旋转键数：
  64
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  1080
• 氢给体数：
  34
• 氢受体数：
  32