5-[2-[3-carboxypropyl-[3-oxo-3-[4-(48,49,63,64-tetrahydroxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-6-yl)butylamino]propyl]amino]ethylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate;N-[2-[4-oxopentyl-[3-oxo-3-[4-(48,49,63,64-tetrahydroxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-6-yl)butylamino]propyl]amino]ethyl]carbamoyl fluoride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-[2-[3-carboxypropyl-[3-oxo-3-[4-(48,49,63,64-tetrahydroxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-6-yl)butylamino]propyl]amino]ethylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate;N-[2-[4-oxopentyl-[3-oxo-3-[4-(48,49,63,64-tetrahydroxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-6-yl)butylamino]propyl]amino]ethyl]carbamoyl fluoride
• 化学式: C220H278F2N45O51-
• 分子量: 4407.0
• InChiKey: QUVQNOFZVVKSLC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.47
• 重原子数：
  318
• 可旋转键数：
  47
• 环数：
  26.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  1320
• 氢给体数：
  44
• 氢受体数：
  68