(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(3S,9S,12S,15S,18S,21S,24S,27S)-18-(carboxymethyl)-12-[3-(diaminomethylideneamino)propyl]-3,15-bis[(4-hydroxyphenyl)methyl]-21,24-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontane-9-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(3S,9S,12S,15S,18S,21S,24S,27S)-18-(carboxymethyl)-12-[3-(diaminomethylideneamino)propyl]-3,15-bis[(4-hydroxyphenyl)methyl]-21,24-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontane-9-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
• 化学式: C₁₁₂H₁₄₀N₂₆O₂₇
• 分子量: 2282.5
• InChiKey: TWQHVNJACYCYPN-XFJQDXOISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  165
• 可旋转键数：
  46
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  816
• 氢给体数：
  28
• 氢受体数：
  29