3-((S)-1,4-Dioxo-6-phenyl-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-((S)-1,4-Dioxo-6-phenyl-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester
• 英文别名: Pyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoic acid,1,2,3,4,6,7,12,12a-octahydro-1,4-dioxo-6-phenyl-,1,1-dimethylethyl ester,(12as)-；tert-butyl 3-[(8S)-4,7-dioxo-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
• 化学式: C₂₇H₂₉N₃O₄
• 分子量: 459.545
• InChiKey: BSEJMCYRADYFBM-DQBMGFJSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  91.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Fmoc-O-叔丁基-L-谷氨酸 、 苯甲醛 、 alkaline earth salt of/the/ methylsulfuric acid 生成 3-((S)-1,4-Dioxo-6-phenyl-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester
  参考文献：
  名称：

  Solid phase synthesis of fumitremorgin, verruculogen and tryprostatin analogs based on a cyclization/cleavage strategy

  摘要：

  A solid phase synthesis towards structural analogs of fumitremorgins, verruculogens and tryprostatins using a cyclization/cleavage strategy was developed. To prove the general applicability of the route, a representative set of 42 single compounds (as diastereomeric mixtures) was prepared by parallel synthesis and analyzed with LC/MS. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00931-9

文献信息

• Solid phase synthesis of fumitremorgin, verruculogen and tryprostatin analogs based on a cyclization/cleavage strategy
  作者：Arnold van Loevezijn、Jan H. van Maarseveen、Karel Stegman、Geb M. Visser、Gerrit-Jan Koomen

  DOI：10.1016/s0040-4039(98)00931-9

  日期：1998.6

  A solid phase synthesis towards structural analogs of fumitremorgins, verruculogens and tryprostatins using a cyclization/cleavage strategy was developed. To prove the general applicability of the route, a representative set of 42 single compounds (as diastereomeric mixtures) was prepared by parallel synthesis and analyzed with LC/MS. (C) 1998 Elsevier Science Ltd. All rights reserved.