(S)-2-((S)-2-amino-N-methyl-3-phenylpropanamido)-N-((R)-1-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl)-3-methylbutanamide | 220808-17-3

• 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: (S)-2-((S)-2-amino-N-methyl-3-phenylpropanamido)-N-((R)-1-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl)-3-methylbutanamide
• 英文别名: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-N-[(2R)-1-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl]-3-methylbutanamide
• CAS: 220808-17-3
• 化学式: C₂₈H₄₁N₃O₃
• 分子量: 467.652
• InChiKey: HFXVAXVJASZYOM-VPHKFGTKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  95.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 生成 (S)-2-((S)-2-amino-N-methyl-3-phenylpropanamido)-N-((R)-1-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl)-3-methylbutanamide
  参考文献：
  名称：

  Discovery of novel motilin antagonists: Conversion of tetrapeptide leads to orally available peptidomimetics

  摘要：

  We successfully discovered peptidomimetic motilin antagonists (17c and 17d) through the improvement of physicochemical properties of a tetrapeptide antagonist (2). Furthermore, with oral administration and based on motilin antagonistic activity, both compounds suppressed motilin-induced colonic and gastric motility in conscious dogs. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.05.059

文献信息

• Discovery of novel motilin antagonists: Conversion of tetrapeptide leads to orally available peptidomimetics
  作者：Naoki Taka、Hiroharu Matsuoka、Tsutomu Sato、Hitoshi Yoshino、Ikuhiro Imaoka、Haruhiko Sato、Ken-ichiro Kotake、Yoshikazu Kumagai、Kenshi Kamei、Ken-ichi Ozaki、Atsuko Higashida、Toshio Kuroki

  DOI：10.1016/j.bmcl.2009.05.059

  日期：2009.7

  We successfully discovered peptidomimetic motilin antagonists (17c and 17d) through the improvement of physicochemical properties of a tetrapeptide antagonist (2). Furthermore, with oral administration and based on motilin antagonistic activity, both compounds suppressed motilin-induced colonic and gastric motility in conscious dogs. (C) 2009 Published by Elsevier Ltd.