(S)-2-((S)-2-Benzoylamino-3-{(2R,3R,4R,5R,6R)-4,5-diacetoxy-3-acetylamino-6-[(2-tert-butoxycarbonylamino-benzoylamino)-methyl]-tetrahydro-pyran-2-ylcarbamoyl}-propionylamino)-3-(4-hydroxy-3-nitro-phenyl)-propionic acid methyl ester | 214473-38-8

• 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: (S)-2-((S)-2-Benzoylamino-3-{(2R,3R,4R,5R,6R)-4,5-diacetoxy-3-acetylamino-6-[(2-tert-butoxycarbonylamino-benzoylamino)-methyl]-tetrahydro-pyran-2-ylcarbamoyl}-propionylamino)-3-(4-hydroxy-3-nitro-phenyl)-propionic acid methyl ester
• CAS: 214473-38-8
• 化学式: C₄₅H₅₃N₇O₁₇
• 分子量: 963.953
• InChiKey: ICRNBQJOBZTRRU-CGAPDPHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  69.0
• 可旋转键数：
  18.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  335.33
• 氢给体数：
  7.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  (S)-2-((S)-2-Benzoylamino-3-{(2R,3R,4R,5R,6R)-4,5-diacetoxy-3-acetylamino-6-[(2-tert-butoxycarbonylamino-benzoylamino)-methyl]-tetrahydro-pyran-2-ylcarbamoyl}-propionylamino)-3-(4-hydroxy-3-nitro-phenyl)-propionic acid methyl ester 在 氨 、 三氟乙酸 作用下， 生成
  参考文献：
  名称：

  Convergent synthesis of a fluorescence-quenched glycopeptide as a potential substrate for peptide: N-glycosidases

  摘要：

  The fluorescence-quenched glycopeptide N-gamma-[2-acetamido-6-(2'-amino)benzamido-2,6-dideoxy-beta-D-glucopyranosyl]-N-alpha-benzoyl-Asn-Tyr(NO2)-OMe, having anthranilamide/3-nitrotyrosine as the donor/acceptor pair, was synthesized via a convergent route involving the EEDQ-mediated coupling of 2-acetamido-2,3-di-O-acetyl-6-(2'-tert-butoxycarbonylamino)benzamido-2,6-dideoxy-beta-D-glucopyranosylamine with N-benzoyl-Asp-Tyr(NO2)-OMe, followed by deprotection. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(98)00011-1
• 作为产物：
  描述：

  L-3-硝基酪氨酸甲酯盐酸盐 在 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 114.0h， 生成 (S)-2-((S)-2-Benzoylamino-3-{(2R,3R,4R,5R,6R)-4,5-diacetoxy-3-acetylamino-6-[(2-tert-butoxycarbonylamino-benzoylamino)-methyl]-tetrahydro-pyran-2-ylcarbamoyl}-propionylamino)-3-(4-hydroxy-3-nitro-phenyl)-propionic acid methyl ester
  参考文献：
  名称：

  Convergent synthesis of a fluorescence-quenched glycopeptide as a potential substrate for peptide: N-glycosidases

  摘要：

  The fluorescence-quenched glycopeptide N-gamma-[2-acetamido-6-(2'-amino)benzamido-2,6-dideoxy-beta-D-glucopyranosyl]-N-alpha-benzoyl-Asn-Tyr(NO2)-OMe, having anthranilamide/3-nitrotyrosine as the donor/acceptor pair, was synthesized via a convergent route involving the EEDQ-mediated coupling of 2-acetamido-2,3-di-O-acetyl-6-(2'-tert-butoxycarbonylamino)benzamido-2,6-dideoxy-beta-D-glucopyranosylamine with N-benzoyl-Asp-Tyr(NO2)-OMe, followed by deprotection. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(98)00011-1