3-[5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[4,7,10-tris[1-oxo-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-1-propan-2-yloxypropan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid;propan-2-yl 3-(1,3-dioxoisoindol-2-yl)-2-[4,7,10-tris[3-(1,3-dioxoisoindol-2-yl)-1-oxo-1-propan-2-yloxypropan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: 3-[5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[4,7,10-tris[1-oxo-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-1-propan-2-yloxypropan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid;propan-2-yl 3-(1,3-dioxoisoindol-2-yl)-2-[4,7,10-tris[3-(1,3-dioxoisoindol-2-yl)-1-oxo-1-propan-2-yloxypropan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate
• 英文别名: 3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[4,7,10-tris[1-oxo-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-1-propan-2-yloxypropan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid;propan-2-yl 3-(1,3-dioxoisoindol-2-yl)-2-[4,7,10-tris[3-(1,3-dioxoisoindol-2-yl)-1-oxo-1-propan-2-yloxypropan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate
• 化学式: C133H186N24O32S4
• 分子量: 2761.3
• InChiKey: OUKZQSDSEUGRDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  193
• 可旋转键数：
  66
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  779
• 氢给体数：
  13
• 氢受体数：
  44