3-[(3S,9S,12S,18S,24S,34R,37S,40S)-24-(2-carboxyethyl)-9,37-bis[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-18-(1H-imidazol-5-ylmethyl)-2,8,11,14,17,20,23,26,35,36,39-undecaoxo-27,34-bis(sulfanylmethyl)-30,31-dithia-1,7,10,13,16,19,22,25,28,33,38-undecazatricyclo[38.3.0.03,7]tritetracontan-21-yl]propanoic 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: 3-[(3S,9S,12S,18S,24S,34R,37S,40S)-24-(2-carboxyethyl)-9,37-bis[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-18-(1H-imidazol-5-ylmethyl)-2,8,11,14,17,20,23,26,35,36,39-undecaoxo-27,34-bis(sulfanylmethyl)-30,31-dithia-1,7,10,13,16,19,22,25,28,33,38-undecazatricyclo[38.3.0.03,7]tritetracontan-21-yl]propanoic acid
• 化学式: C₅₄H₇₇N₁₃O₁₉S₄
• 分子量: 1340.5
• InChiKey: UARLIRHIDBGLOM-BPYQWDIOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.8
• 重原子数：
  90
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  539
• 氢给体数：
  18
• 氢受体数：
  26

文献信息

• METHODS OF TREATING NEUROPATHIC PAIN
  申请人：Northwestern University

  公开号：US20140249088A1

  公开（公告）日：2014-09-04

  The disclosure relates, at least in part, to methods of treating neuropathic pain in a patient in need thereof by administering an effective amount of a disclosed compound, e.g. a peptide NMDA receptor partial agonist.