2-[(3R,6S,9R,12S,18S,21R,24S)-3-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-6-benzyl-18-(3-carbamimidamidopropyl)-24-[4-[[5-[[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]amino]-5-oxopentanoyl]amino]butyl]-5,8,11,14,17,20,23,26-octaoxo-9,21-bis(sulfanylmethyl)-1-thia-4,7,10,13,16,19,22,25-octazacycloheptacos-12-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-[(3R,6S,9R,12S,18S,21R,24S)-3-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-6-benzyl-18-(3-carbamimidamidopropyl)-24-[4-[[5-[[5-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]amino]-5-oxopentanoyl]amino]butyl]-5,8,11,14,17,20,23,26-octaoxo-9,21-bis(sulfanylmethyl)-1-thia-4,7,10,13,16,19,22,25-octazacycloheptacos-12-yl]acetic acid
• 化学式: C₁₂₀H₂₁₀N₂₈O₄₅S₃
• 分子量: 2861.3
• InChiKey: PENJHTMWKJJWLV-VIHIMYKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14
• 重原子数：
  196
• 可旋转键数：
  114
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  1030
• 氢给体数：
  31
• 氢受体数：
  53

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