{5-[(S)-3-Carbamoyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionylamino]-pentyl}-carbamic acid tert-butyl ester | 200066-58-6

• 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: {5-[(S)-3-Carbamoyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionylamino]-pentyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[5-[[(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoyl]amino]pentyl]carbamate
• CAS: 200066-58-6
• 化学式: C₂₉H₃₈N₄O₆
• 分子量: 538.644
• InChiKey: XHYGMPCSTIKYNT-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  39
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  {5-[(S)-3-Carbamoyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionylamino]-pentyl}-carbamic acid tert-butyl ester 在 甲酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl N-[3-[5-[[(2S)-4-amino-4-oxo-2-[[2-(4-phenylmethoxy-1H-indol-3-yl)acetyl]amino]butanoyl]amino]pentylamino]-3-oxopropyl]-N-[4-[3-[4-[3-[4-azidobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]butyl]carbamate
  参考文献：
  名称：

  Total synthesis of NPTX-5 and NPTX-6, Joro spider (Nephila clavata) toxins having a unique putreanine trimer and putreanine tetramer acylpolyamine chain

  摘要：

  The first total synthesis of NPTX-5 and NPTX-6, Joro spider (Nephila clavata) toxins having a 4-hydroxyindole nucleus and a unique putreanine trimer and tetramer acylpolyamine chain, respectively, has been achieved by the iterative use of a key azide compound. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01379-3
• 作为产物：
  描述：

  N-Boc-5-重氮基戊-1-胺 在 platinum(IV) oxide 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 {5-[(S)-3-Carbamoyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionylamino]-pentyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Total synthesis of NPTX-5 and NPTX-6, Joro spider (Nephila clavata) toxins having a unique putreanine trimer and putreanine tetramer acylpolyamine chain

  摘要：

  The first total synthesis of NPTX-5 and NPTX-6, Joro spider (Nephila clavata) toxins having a 4-hydroxyindole nucleus and a unique putreanine trimer and tetramer acylpolyamine chain, respectively, has been achieved by the iterative use of a key azide compound. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01379-3

文献信息

• Total synthesis of nephilatoxin-1 (NPTX-1), a Joro spider (Nephila clavata) toxin having a 4-hydroxyindole nucleus
  作者：Masaaki Miyashita、Hiroaki Saito、Masayuki Matsushita、Masahiro Miyazawa、Yasuhiro Itagaki、Terumi Nakajima

  DOI：10.1016/s0040-4039(97)10205-2

  日期：1997.12

  The first total synthesis of Nephilatoxin-1 (NPTX-1), a Joro spider (Nephila clavata) toxin having a 4-hydroxyindole nucleus, has been achieved by using two key azide intermediates. (C) 1997 Elsevier Science Ltd.
• Total synthesis of NPTX-5 and NPTX-6, Joro spider (Nephila clavata) toxins having a unique putreanine trimer and putreanine tetramer acylpolyamine chain
  作者：Hiroaki Saito、Etsuko Yuri、Masahiro Miyazawa、Yasuhiro Itagaki、Terumi Nakajima、Masaaki Miyashita

  DOI：10.1016/s0040-4039(98)01379-3

  日期：1998.9

  The first total synthesis of NPTX-5 and NPTX-6, Joro spider (Nephila clavata) toxins having a 4-hydroxyindole nucleus and a unique putreanine trimer and tetramer acylpolyamine chain, respectively, has been achieved by the iterative use of a key azide compound. (C) 1998 Elsevier Science Ltd. All rights reserved.