N-[4-amino-1-[[(2S,3S)-1-[[4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3,12-bis[(1S)-1-hydroxyethyl]-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: N-[4-amino-1-[[(2S,3S)-1-[[4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3,12-bis[(1S)-1-hydroxyethyl]-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
• 化学式: C₅₂H₈₈N₁₆O₁₄
• 分子量: 1161.4
• InChiKey: STLHSHHTUZYYDP-OUGARARISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.6
• 重原子数：
  82
• 可旋转键数：
  24
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  511
• 氢给体数：
  19
• 氢受体数：
  19

文献信息

• Antibiotic Compositions for the Treatment of Gram Negative Infections
  申请人：BioSource Pharm, Inc.

  公开号：US20140073559A1

  公开（公告）日：2014-03-13

  Provided herein are novel compounds and novel protected compounds that can be derived from polymyxin, including, e.g., polymyxin A. The novel compounds have antibacterial properties against a diverse range of Gram negative bacteria and reduced toxicity compared to polymyxins such as polymyxin A. Also provided are antibacterial pharmaceutical compositions containing the novel compounds and novel protected compounds, as well as methods for preparing the antibacterial compounds and protected compounds.
• US8906866B2
  申请人：——

  公开号：US8906866B2

  公开（公告）日：2014-12-09