[(3S)-2-[(3R,12S,23S,25R,29S)-29-[(3S)-3-hydroxy-2-methylhex-4-en-2-yl]-3-methoxy-14,31-dioxo-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.115,18.06,8.023,25]hexatriaconta-1(35),4,9,15,18(36),19,21,26,32-nonaen-12-yl]-2-methylhex-4-en-3-yl] 4-[[(5S)-6-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxohexyl]amino]-4-oxobutanoate

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: [(3S)-2-[(3R,12S,23S,25R,29S)-29-[(3S)-3-hydroxy-2-methylhex-4-en-2-yl]-3-methoxy-14,31-dioxo-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.115,18.06,8.023,25]hexatriaconta-1(35),4,9,15,18(36),19,21,26,32-nonaen-12-yl]-2-methylhex-4-en-3-yl] 4-[[(5S)-6-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxohexyl]amino]-4-oxobutanoate
• 化学式: C₁₀₆H₁₄₀N₂₀O₂₆
• 分子量: 2110.4
• InChiKey: WMMGFNLPOFVRFI-UYWOPBICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  152
• 可旋转键数：
  49
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  687
• 氢给体数：
  19
• 氢受体数：
  30