N-[2-[(S)-2-[(4-Methylpiperazino)acetylthio]-3-methylbutanoylamino]-2-methylpropionyl]-O-benzyl-L-serine Ethyl Ester | 475649-24-2

• 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: N-[2-[(S)-2-[(4-Methylpiperazino)acetylthio]-3-methylbutanoylamino]-2-methylpropionyl]-O-benzyl-L-serine Ethyl Ester
• 英文别名: ethyl (2S)-2-[[2-methyl-2-[[(2S)-3-methyl-2-[2-(4-methylpiperazin-1-yl)acetyl]sulfanylbutanoyl]amino]propanoyl]amino]-3-phenylmethoxypropanoate
• CAS: 475649-24-2
• 化学式: C₂₈H₄₄N₄O₆S
• 分子量: 564.747
• InChiKey: IFPBIBKSCKVVCD-UPVQGACJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  39
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  143
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Dipeptide derivatives
  申请人：——

  公开号：US20020183260A1

  公开（公告）日：2002-12-05

  Compounds of the formula 1 wherein R, R 1 , COOR 2 , R 3 -R 7 , alk, and X have meaning as defined, such being useful as dual inhibitors of angiotensin converting enzyme and neutral endopeptidase, as well as inhibitors of endothelin converting enzyme.

  式1中的化合物，其中R、R1、COOR2、R3-R7、alk和X的含义如所定义，这些化合物可作为抑制肾素-血管紧张素转化酶和中性内肽酶的双重抑制剂，同时也可作为内皮素转化酶的抑制剂。
• DIPEPTIDE DERIVATIVES HAVING A N-TERMINAL 2-THIOACYL GROUP AS VASOPEPTIDASE INHIBITORS
  申请人：Novartis AG

  公开号：EP1392720A2

  公开（公告）日：2004-03-03
• US6777443B2
  申请人：——

  公开号：US6777443B2

  公开（公告）日：2004-08-17
• US6992105B2
  申请人：——

  公开号：US6992105B2

  公开（公告）日：2006-01-31
• [EN] DIPEPTIDE DERIVATIVES<br/>[FR] DERIVES DIPEPTIDIQUES
  申请人：NOVARTIS AG

  公开号：WO2002092622A2

  公开（公告）日：2002-11-21

  Compounds of formula (I) wherein R, R1, COOR2, R3-R7, alk, and X have meaning as defined, such being useful as dual inhibitors of angiotensin converting enzyme and neutral endopeptidase, as well as inhibitors of endothelin converting enzyme. In a preferred embodiment, R and R5 represent hydrogen; R1 represents benzyl; R3 represents hydrogen, acetyl or methoxyacetyl; R4 represents isopropyl or tert-butyl; R6 and R7 represent methyl; X represents -O-; alk represents methylene; and COOR2 represents carboxyl or ethoxycarbonyl.