2-[(2-Methoxy-2-oxoethyl)-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetic acid;2-[4,7,10-tris(carboxymethyl)-6-[[4-[[2-[carboxymethyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4,7,10-tris(carboxymethyl)-6-[[4-[[2-[(2-methoxy-2-oxoethyl)-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

• 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: 2-[(2-Methoxy-2-oxoethyl)-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetic acid;2-[4,7,10-tris(carboxymethyl)-6-[[4-[[2-[carboxymethyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4,7,10-tris(carboxymethyl)-6-[[4-[[2-[(2-methoxy-2-oxoethyl)-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• 英文别名: 2-[(2-methoxy-2-oxoethyl)-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetic acid;2-[4,7,10-tris(carboxymethyl)-6-[[4-[[2-[carboxymethyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4,7,10-tris(carboxymethyl)-6-[[4-[[2-[(2-methoxy-2-oxoethyl)-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]acetyl]amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• 化学式: C90H133N19O32S3
• 分子量: 2089.3
• InChiKey: APPUGURNLBBNAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.64
• 重原子数：
  144
• 可旋转键数：
  51
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  770
• 氢给体数：
  18
• 氢受体数：
  43