(2S,3aS,7aS)-1-(N2-nicotinoyl-L-lysyl-γ-D-glutamyl)octahydro-1H-indole-2-carboxylic acid | 116662-73-8

• 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: (2S,3aS,7aS)-1-(N2-nicotinoyl-L-lysyl-γ-D-glutamyl)octahydro-1H-indole-2-carboxylic acid
• 英文别名: (2S,3aS,7aS)-1-(N2-nicotinyl-L-lysil-γ-D-glutamyl)octahydro-1H-indole-2-carboxylic acid；(2S,3aS,7aS)-1-(N2-nicotinoyl-L-lysyl-gamma-D-glutamyl)octahydro-1H-indole-2-carboxylic acid；(2S,3aS,7aS)-1-[(4R)-4-[[(2S)-6-amino-2-(pyridine-3-carbonylamino)hexanoyl]amino]-4-carboxybutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
• CAS: 116662-73-8
• 化学式: C₂₆H₃₇N₅O₇
• 分子量: 531.609
• InChiKey: UBZCHWIFLRXSRK-RQUKQETFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  192
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (2S,3aS,7aS)-1-(N2-nicotinoyl-L-lysyl-γ-D-glutamyl)octahydro-1H-indole-2-carboxylic acid 、 (2S,3aS,7aS)-1-[(4R)-4-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-carboxybutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid 生成 H-Lys(nicotinoyl)(nicotinoyl)-D-gGlu-Oic-OH
  参考文献：
  名称：

  SAWAYAMA, TADAHIRO;TSUKAMOTO, MASATOSHI;SASAGAWA, TAKASHI;NISHIMURA, KAZU+, CHEM. AND PHARM. BULL., 38,(1990) N, C. 110-115

  摘要：

  DOI：
• 作为产物：
  描述：

  (2S,3aS,7aS)-1-(N2-nicotinoyl-N6-benzyloxycarbonyl-L-lysyl-gamma-D-glutamyl)octahydro-1H-indole-2-carboxylic acid 生成 (2S,3aS,7aS)-1-(N2-nicotinoyl-L-lysyl-γ-D-glutamyl)octahydro-1H-indole-2-carboxylic acid
  参考文献：
  名称：

  SAWAYAMA, TADAHIRO;TSUKAMOTO, MASATOSHI;SASAGAWA, TAKASHI;NISHIMURA, KAZU+, CHEM. AND PHARM. BULL., 38,(1990) N, C. 110-115

  摘要：

  DOI：

文献信息

• Tripeptide derivatives
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：US04826814A1

  公开（公告）日：1989-05-02

  There are provided tripeptide compounds represented by the following formula ##STR1## wherein R.sub.1 represents a C.sub.1-10 alkyl group, a C.sub.4-7 cycloalkyl or C.sub.5-7 cycloalkyl-lower alkyl group, a phenyl or phenyl-lower alkyl group in which the benzene ring may optionally be substituted by a substituent selected from halogen, lower alkyl, lower alkoxy, phenyl, methylenedioxy, ethylenedioxy, amino, di(lower alkyl)amino and hydroxy, a naphthyl or naphthyl-lower alkyl group in which the naphthalene ring may optionally be substituted by a substituent selected from halogen, lower alkyl, lower alkoxy and hydroxy, a heterocyclic or heterocyclic-lower alkyl group in which the heterocycle is a saturated or unsaturated 5- or 6-membered ring containing a nitrogen, oxygen or sulfur atom as the hetero atom, and may optionally be substituted by a substituent selected from halogen, lower alkyl, lower alkoxy, amino, di(lower alkyl)amino, hydroxy, oxo and saturated 5- or 6-membered nitrogen-containing heterocyclic group, and further may optionally be fused to a benzene ring, or an imidazolylvinyl group; R.sub.2 represents a hydrogen atom, a C.sub.1-10 alkyl group or a benzyl group; R.sub.3 represents a group of the formula ##STR2## represents a benzene, cyclopentane or cyclohexane ring, R.sub.4 represents a hydrogen atom, a C.sub.1-10 alkyl group or a benzyl group, p is 0 or 1, q is 1, 2, or 3, and X represents a phenyl group which may optionally be substituted by a substituent selected from halogen, lower alkoxy and hydroxy, a C.sub.4-8 cycloalkyl group, or a C.sub.5-7 cycloalkyl group which is fused to a benzene, and Y represents a hydrogen atom or a lower alkyl group, or X and Y, together with the nitrogen and carbon atoms to which they are bonded, forms a 5- or 6-membered heterocycle which may contain a nitrogen, oxygen or sulfur atom, W represents a single bond, --O-- or --NH--, T represents a single bond, ##STR3## and m is 2 or 3, or salts thereof and processes for production thereof. The compounds are useful as antihypertensive agents.

  提供以下式子所表示的三肽化合物##STR1## 其中，R.sub.1代表C.sub.1-10烷基，C.sub.4-7环烷基或C.sub.5-7环烷基-较低烷基，苯基或苯基-较低烷基，其中苯环可以选择性地被卤素，较低烷基，较低烷氧基，苯基，亚甲二氧基，乙二氧基，氨基，二(较低烷基)氨基和羟基等取代基取代，萘基或萘基-较低烷基，其中萘环可以选择性地被卤素，较低烷基，较低烷氧基和羟基等取代基取代，杂环或杂环-较低烷基，其中杂环是饱和或不饱和的5-或6-成员环，含有氮、氧或硫原子作为杂原子，可以选择性地被卤素，较低烷基，较低烷氧基，氨基，二(较低烷基)氨基，羟基，氧代基和饱和的5-或6-成员氮杂环基取代，还可以选择性地与苯环融合，或者是一种咪唑乙烯基；R.sub.2代表氢原子，C.sub.1-10烷基或苄基；R.sub.3代表式子##STR2##表示苯环，环戊烷或环己烷环，R.sub.4代表氢原子，C.sub.1-10烷基或苄基，p为0或1，q为1、2或3，X代表苯基，可以选择性地被卤素，较低烷氧基和羟基等取代基取代，C.sub.4-8环烷基或与苯融合的C.sub.5-7环烷基，Y代表氢原子或较低烷基，或者X和Y与它们连接的氮和碳原子形成一个5-或6-成员杂环，其中可能含有氮、氧或硫原子，W代表单键，--O--或--NH--，T代表单键，##STR3##，m为2或3，或其盐和生产过程。这些化合物可用作降压剂。
• SAWAYAMA, TADAHIRO;TSUKAMOTO, MASATOSHI;SASAGAWA, TAKASHI;NISHIMURA, KAZU+, CHEM. AND PHARM. BULL., 38,(1990) N, C. 110-115
  作者：SAWAYAMA, TADAHIRO、TSUKAMOTO, MASATOSHI、SASAGAWA, TAKASHI、NISHIMURA, KAZU+

  DOI：——

  日期：——