2-[2-[2-[2-[2-[(1S)-4-(diaminomethylideneamino)-1-(dimethylamino)butyl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-5-methyl-N-[(2S,3S)-3-methyl-1-[[(1S,2S)-2-methyl-1-[4-(4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]butyl]amino]-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide

• 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-[(1S)-4-(diaminomethylideneamino)-1-(dimethylamino)butyl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-5-methyl-N-[(2S,3S)-3-methyl-1-[[(1S,2S)-2-methyl-1-[4-(4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]butyl]amino]-1-oxopentan-2-yl]-1,3-oxazole-4-carboxamide
• 化学式: C₄₄H₅₅N₁₃O₇S₂
• 分子量: 942.1
• InChiKey: VQTVJHIRLZVSPW-YHVJRZTNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  66
• 可旋转键数：
  20
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  338
• 氢给体数：
  4
• 氢受体数：
  18

文献信息

• ANTIBIOTICS AND METHODS FOR MANUFACTURING THE SAME
  申请人：THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

  公开号：US20140228278A1

  公开（公告）日：2014-08-14

  The present invention generally relates to a novel highly discriminating antibiotic, plantazolicin, a plantazolicin-like compound and to pharmaceutical compositions comprising the same. Also provided are methods for producing and using plantazolicin. Due to its bactericidal activity against Bacillus anthracis , plantazolicin and plantazolicin-like compounds can be used in methods for treating and/or preventing anthrax infections.