2-[(1R,4S,10R,13S,16R,19S,25S)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[6-[2-[7-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]butyl]-10-(methylcarbamoyl)-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,13S,16R,19S,25S)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[6-[2-[7-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoylamino]butyl]-10-(methylcarbamoyl)-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: C74H100N15O18S5+
• 分子量: 1648.0
• InChiKey: UNMQZPDEWRHYNX-LNZSLCJFSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  112
• 可旋转键数：
  27
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  600
• 氢给体数：
  15
• 氢受体数：
  23

文献信息

• Peptide Based-Compounds
  申请人：Cuthbertson Alan

  公开号：US20080095715A1

  公开（公告）日：2008-04-24

  The invention relates to new peptide-based compounds and their use in diagnostic optical imaging techniques. More specifically the invention relates to the use of such peptide-based compounds as targeting vectors that bind to receptors associated with angiogenesis. The compounds are labelled with at least one cyanine dye reporter and may be used as contrast agents in optical imaging in diagnosis of angiogenesis-related diseases.
• US7897142B2
  申请人：——

  公开号：US7897142B2

  公开（公告）日：2011-03-01