2-[[2-[[5-[Acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-[5-[4-(carbamoylamino)-2-oxopyrimidin-1-yl]-3,4-dihydroxythiolan-2-yl]-3-hydroxypropanoic acid

• 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: 2-[[2-[[5-[Acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-[5-[4-(carbamoylamino)-2-oxopyrimidin-1-yl]-3,4-dihydroxythiolan-2-yl]-3-hydroxypropanoic acid
• 英文别名: 2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-[5-[4-(carbamoylamino)-2-oxopyrimidin-1-yl]-3,4-dihydroxythiolan-2-yl]-3-hydroxypropanoic acid
• 化学式: C₃₆H₅₈N₁₂O₁₈S
• 分子量: 979.0
• InChiKey: XTBDJTLYVZDLJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.7
• 重原子数：
  67
• 可旋转键数：
  26
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  495
• 氢给体数：
  15
• 氢受体数：
  20