2-[(1S,4S,10S,13R,14S,16S)-14-[[[2-[2-[2-[2-[4-[4-(carboxymethyl)-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-(hydroxyamino)butoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-4-[3-(diaminomethylideneamino)propyl]-2,5,8,11,20-pentaoxo-3,6,9,12,19-pentazatricyclo[11.5.2.016,19]icosan-10-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-[(1S,4S,10S,13R,14S,16S)-14-[[[2-[2-[2-[2-[4-[4-(carboxymethyl)-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-(hydroxyamino)butoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]methyl]-4-[3-(diaminomethylideneamino)propyl]-2,5,8,11,20-pentaoxo-3,6,9,12,19-pentazatricyclo[11.5.2.016,19]icosan-10-yl]acetic acid
• 化学式: C₄₈H₈₂N₁₄O₁₉
• 分子量: 1159.2
• InChiKey: VDJAZYTWBQEEJR-VZIFSHOVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.1
• 重原子数：
  81
• 可旋转键数：
  33
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  440
• 氢给体数：
  11
• 氢受体数：
  25

文献信息

• INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS
  申请人：BRACCO IMAGING S.P.A.

  公开号：US20140178302A1

  公开（公告）日：2014-06-26

  The present invention relates to a novel class of diagnostically or therapeutically effective compounds comprising novel aza-bicycloalkane based cyclic peptides, acting as a targeting moiety towards integrin receptors.
• US9409951B2
  申请人：——

  公开号：US9409951B2

  公开（公告）日：2016-08-09