2-[(1R,4S,10R,16R,19S,25S)-13-benzyl-25-(3-carbamimidamidopropyl)-10-(ethylcarbamoyl)-4-[4-[6-[2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-3-yl]hexanoylamino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.4]hentriacontan-19-yl]acetic 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-[(1R,4S,10R,16R,19S,25S)-13-benzyl-25-(3-carbamimidamidopropyl)-10-(ethylcarbamoyl)-4-[4-[6-[2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-3-yl]hexanoylamino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid
• 化学式: C81H104N15O24S7+
• 分子量: 1896.2
• InChiKey: DLZLMMDNEAXVMR-WDWVADARSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  127
• 可旋转键数：
  30
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  723
• 氢给体数：
  18
• 氢受体数：
  29

文献信息

• NOVEL IMAGING METHOD
  申请人：Newton Ben

  公开号：US20100316565A1

  公开（公告）日：2010-12-16

  The present invention relates to a method useful in facilitating the identification of fibrogenesis in a subject. The method of the invention is particularly useful when applied as part of a method to diagnose fibrogenesis of the liver. The invention also provides a compound for use in a method for identification of fibrogenesis in a subject A further aspect of the invention is a compound for use in the preparation of a medicament for use in a method for identification of fibrogenesis in a subject.
• US8834843B2
  申请人：——

  公开号：US8834843B2

  公开（公告）日：2014-09-16