6-[3-[3-[2-[[2-[[2-Acetamido-3-[1-[3-[[5-[[2-[3-[2-[2-[3-[3-[2-acetamido-3-(ethylamino)-3-oxopropyl]sulfanyl-2,5-dihydroxypyrrol-1-yl]propanoylamino]ethoxy]ethoxy]propanoylamino]-6-(3-hydroxypropanoylamino)hexanoyl]amino]-6-amino-6-oxohexyl]amino]-3-oxopropyl]-2,5-dihydroxypyrrol-3-yl]sulfanylpropanoyl]amino]-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoyl]amino]-3-amino-3-oxopropyl]sulfanyl-2,5-dioxocyclopentyl]propanoylamino]-2-[2,6-bis(3-hydroxypropanoylamino)hexanoylamino]hexanamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 6-[3-[3-[2-[[2-[[2-Acetamido-3-[1-[3-[[5-[[2-[3-[2-[2-[3-[3-[2-acetamido-3-(ethylamino)-3-oxopropyl]sulfanyl-2,5-dihydroxypyrrol-1-yl]propanoylamino]ethoxy]ethoxy]propanoylamino]-6-(3-hydroxypropanoylamino)hexanoyl]amino]-6-amino-6-oxohexyl]amino]-3-oxopropyl]-2,5-dihydroxypyrrol-3-yl]sulfanylpropanoyl]amino]-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoyl]amino]-3-amino-3-oxopropyl]sulfanyl-2,5-dioxocyclopentyl]propanoylamino]-2-[2,6-bis(3-hydroxypropanoylamino)hexanoylamino]hexanamide
• 英文别名: 6-[3-[3-[2-[[2-[[2-acetamido-3-[1-[3-[[5-[[2-[3-[2-[2-[3-[3-[2-acetamido-3-(ethylamino)-3-oxopropyl]sulfanyl-2,5-dihydroxypyrrol-1-yl]propanoylamino]ethoxy]ethoxy]propanoylamino]-6-(3-hydroxypropanoylamino)hexanoyl]amino]-6-amino-6-oxohexyl]amino]-3-oxopropyl]-2,5-dihydroxypyrrol-3-yl]sulfanylpropanoyl]amino]-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoyl]amino]-3-amino-3-oxopropyl]sulfanyl-2,5-dioxocyclopentyl]propanoylamino]-2-[2,6-bis(3-hydroxypropanoylamino)hexanoylamino]hexanamide
• 化学式: C₉₀H₁₄₁N₂₁O₃₁S₃
• 分子量: 2109.4
• InChiKey: MHNRKKRYUILFFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.4
• 重原子数：
  145
• 可旋转键数：
  78
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  883
• 氢给体数：
  25
• 氢受体数：
  34