methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-methylbutanoate | 1158994-99-0

• 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: methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-methylbutanoate
• CAS: 1158994-99-0
• 化学式: C₁₀H₂₀N₂O₃
• 分子量: 216.28
• InChiKey: HBGIESSGEPZQJX-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-methylbutanoate 在 1-羟基苯并三唑 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 生成
  参考文献：
  名称：

  杂合肽中骨干螺旋结构的结构表征：（αγ）n和（αβ）n序列具有不受限制的L-Valβ和γ同源物

  摘要：

  学习您αβγ的：在主链扩展混合螺旋氢键性图案的多样性是由几个寡聚肽的晶体结构测定所示（参见方案; C =灰色; H =白色; O =红色; N =蓝色） 。Ç 12 在用于αγ肽系列中观察到螺旋Ñ = 2-8。相比较而言，αα肽和αβ肽序列播放c 10和混合的C 14 / C 15分别螺旋，。

  DOI：

  10.1002/anie.201204436

文献信息

• COMPOUNDS, COMPOSITIONS AND USE
  申请人：Jacobsen Oyvind

  公开号：US20120245094A1

  公开（公告）日：2012-09-27

  A peptide comprising a unit of formula (I) and having a molecular weight of less than 2000 wherein each X is independently an organic group, e.g. a C 1-6 alkyl or C 1-6 alkenyl group, preferably —CH 2 —CH═CH 2 , or the two X groups taken together can form a covalent or non-covalent link between the two O groups, preferably a C 1-10 saturated or unsaturated carbon chain optionally interrupted by one or more heteroatoms selected from O, S, N, P, or Si, especially a C 3-10 carbon chain or one X represents an azido group and the other an C2-6-alkynyl group; both Z's are the same and are O or S; each Y is independently C, CH, CH 2 , N or NH; R 1 is H or C 1-6 alkyl; R 2 is H or C 1-6 alkyl; R 5 is a C 1-6 alkyl group, preferably isopropyl; or a salt, ester or prodrug thereof.

  一种肽，包括公式（I）的一个单元，并且分子量小于2000，其中每个X都是独立的有机基团，例如C1-6烷基或C1-6烯基基团，优选为—CH2—CH═ ，或者两个X基团可以形成两个O基团之间的共价或非共价连接，优选为C1-10饱和或不饱和的碳链，可选地由O、S、N、P或Si中的一个或多个杂原子中断，特别是C3-10碳链或一个X代表一个偶氮基团，另一个代表C2-6-炔基基团；两个Z相同且都是O或S；每个Y独立地是C、CH、 、N或NH；R1是H或C1-6烷基；R2是H或C1-6烷基；R5是C1-6烷基，优选为异丙基；或其盐、酯或前药。
• US8710008B2
  申请人：——

  公开号：US8710008B2

  公开（公告）日：2014-04-29
• [EN] COMPOUNDS, COMPOSITIONS AND USE<br/>[FR] COMPOSÉS, COMPOSITIONS ET UTILISATION
  申请人：UNI I OSLO

  公开号：WO2010073009A2

  公开（公告）日：2010-07-01

  A peptide comprising a unit of formula (I) and having a molecular weight of less than 2000 wherein each X is independently an organic group, e.g. a C1-6 alkyl or C1-6 alkenyl group, preferably -CH2-CH=CH2, or the two X groups taken together can form a covalent or non-covalent link between the two O groups, preferably a C1-10 saturated or unsaturated carbon chain optionally interrupted by one or more heteroatoms selected from O, S, N, P, or Si, especially a C3-I0 carbon chain or one X represents an azido group and the other an C2-6-alkynyl group; both Z's are the same and are O or S; each Y is independently C, CH, CH2, N or NH; R1 is H or C1-6 alkyl; R2 is H or C1-6 alkyl; R5 is a C1-6 alkyl group, preferably isopropyl; or a salt, ester or prodrug thereof.