tert-butyl (3S)-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]-4-oxo-4-[[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]amino]butanoate | 189629-01-4

• 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: tert-butyl (3S)-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]-4-oxo-4-[[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]amino]butanoate
• CAS: 189629-01-4
• 化学式: C₃₇H₄₂N₂O₉
• 分子量: 658.748
• InChiKey: OMERNBFBPPTPDN-FWUCURJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  48
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  prop-2-enyl (2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]propanoyl]amino]propanoate 、 prop-2-enyl (2S)-2-[[(2S,3R)-2-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]propanoate 、 tert-butyl (3S)-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]-4-oxo-4-[[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]amino]butanoate 生成 (S)-N-{(1S,2R)-1-[(S)-1-((S)-5-Amino-1-{(S)-2-carboxy-1-[(S)-1-(carboxymethyl-carbamoyl)-ethylcarbamoyl]-ethylcarbamoyl}-pentylcarbamoyl)-pentylcarbamoyl]-2-hydroxy-propyl}-3-((S)-2-amino-3-carboxy-propionylamino)-succinamic acid
  参考文献：
  名称：

  A new approach to Hmb-backbone protection of peptides: Synthesis and reactivity of Nα-Fmoc-Nα-(Hmb)amino acids

  摘要：

  The use of N-Fmoc-N-(Hmb)amino acids for the introduction of the Hmb backbone protection into peptides during solid-phase synthesis is described An efficient two step synthesis of these derivatives is reported and their coupling to the peptide chain is studied. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00303-1
• 作为产物：
  描述：

  (S)-2-[(9H-Fluoren-9-ylmethoxycarbonyl)-(2-hydroxy-4-methoxy-benzyl)-amino]-succinic acid 4-tert-butyl ester 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.58h， 生成 tert-butyl (3S)-3-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]-4-oxo-4-[[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]amino]butanoate
  参考文献：
  名称：

  A new approach to Hmb-backbone protection of peptides: Synthesis and reactivity of Nα-Fmoc-Nα-(Hmb)amino acids

  摘要：

  The use of N-Fmoc-N-(Hmb)amino acids for the introduction of the Hmb backbone protection into peptides during solid-phase synthesis is described An efficient two step synthesis of these derivatives is reported and their coupling to the peptide chain is studied. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00303-1

文献信息

• A new approach to Hmb-backbone protection of peptides: Synthesis and reactivity of Nα-Fmoc-Nα-(Hmb)amino acids
  作者：Ernesto Nicolás、Montse Pujades、Jordi Bacardit、Ernest Giralt、Fernando Albericio

  DOI：10.1016/s0040-4039(97)00303-1

  日期：1997.3

  The use of N-Fmoc-N-(Hmb)amino acids for the introduction of the Hmb backbone protection into peptides during solid-phase synthesis is described An efficient two step synthesis of these derivatives is reported and their coupling to the peptide chain is studied. (C) 1997 Elsevier Science Ltd.