(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(3S,6R,9S,14S,17R,20S,23R,26S,29R,32S,35R)-3-(2-amino-2-oxoethyl)-29-[(2S)-butan-2-yl]-23,32-bis(3-carbamimidamidopropyl)-6,26-bis(carboxymethyl)-17-[(4-hydroxyphenyl)methyl]-20-(1H-indol-3-ylmethyl)-9-[[(2S)-4-methyl-2-[[(2S)-2-[(4-phenylbenzoyl)amino]propanoyl]amino]pentanoyl]amino]-2,5,8,16,19,22,25,28,31,34-decaoxo-11,12-dithia-1,4,7,15,18,21,24,27,30,33-decazabicyclo[33.3.0]octatriacontane-14-carbonyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(3S,6R,9S,14S,17R,20S,23R,26S,29R,32S,35R)-3-(2-amino-2-oxoethyl)-29-[(2S)-butan-2-yl]-23,32-bis(3-carbamimidamidopropyl)-6,26-bis(carboxymethyl)-17-[(4-hydroxyphenyl)methyl]-20-(1H-indol-3-ylmethyl)-9-[[(2S)-4-methyl-2-[[(2S)-2-[(4-phenylbenzoyl)amino]propanoyl]amino]pentanoyl]amino]-2,5,8,16,19,22,25,28,31,34-decaoxo-11,12-dithia-1,4,7,15,18,21,24,27,30,33-decazabicyclo[33.3.0]octatriacontane-14-carbonyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoic acid
• 化学式: C₁₀₉H₁₄₈N₂₈O₂₈S₂
• 分子量: 2362.6
• InChiKey: TYECABKGPRHKFC-IKZQWZEBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  167
• 可旋转键数：
  51
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  967
• 氢给体数：
  31
• 氢受体数：
  32