2-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-6-[4-[[(2E)-2-[(2E,4E)-5-[1,1-dimethyl-6,8-disulfo-3-[3-(trioxidanylsulfanyl)propyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[3-(trioxidanylsulfanyl)propyl]-1H-benzo[e]indol-6-yl]sulfonyl-methylamino]butanoylamino]hexanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-6-[4-[[2-[5-[1,1-dimethyl-6,8-disulfo-3-[3-(trioxidanylsulfanyl)propyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-[3-(trioxidanylsulfanyl)propyl]benzo[e]indol-3-ium-6-yl]sulfonyl-methylamino]butanoylamino]hexanoic 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-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-6-[4-[[(2E)-2-[(2E,4E)-5-[1,1-dimethyl-6,8-disulfo-3-[3-(trioxidanylsulfanyl)propyl]benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-[3-(trioxidanylsulfanyl)propyl]-1H-benzo[e]indol-6-yl]sulfonyl-methylamino]butanoylamino]hexanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-6-[4-[[2-[5-[1,1-dimethyl-6,8-disulfo-3-[3-(trioxidanylsulfanyl)propyl]benzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,1-dimethyl-3-[3-(trioxidanylsulfanyl)propyl]benzo[e]indol-3-ium-6-yl]sulfonyl-methylamino]butanoylamino]hexanoic acid
• 化学式: C121H153N15O39S10+2
• 分子量: 2762.3
• InChiKey: SRMLODFTKLQFIA-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  185
• 可旋转键数：
  74
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  910
• 氢给体数：
  18
• 氢受体数：
  47

文献信息

• Fluorescent Imaging Agents
  申请人：Rajopadhye Milind

  公开号：US20090220430A1

  公开（公告）日：2009-09-03

  Provided is a family of intramolecularly quenched imaging agents for use in both in vivo and in vitro imaging that contain at least one enzymatically cleavable oligopeptide and two fluorophores or a fluorophore and a quencher. When subjected to proteolytic cleavage, at least one fluorophore is unquenched and becomes capable of producing a fluorescent signal upon excitation with light of an appropriate wavelength. Also provided are in vivo and in vitro imaging methods using such imaging agents.
• US8815214B2
  申请人：——

  公开号：US8815214B2

  公开（公告）日：2014-08-26