((1S,2S)-1-{[(2R,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-2-ylmethyl]-carbamoyl}-2-{[2-(9H-fluoren-9-ylmethoxycarbonylamino)-acetyl]-methyl-amino}-propyl)-carbamic acid tert-butyl ester | 622799-85-3

• 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: ((1S,2S)-1-{[(2R,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-2-ylmethyl]-carbamoyl}-2-{[2-(9H-fluoren-9-ylmethoxycarbonylamino)-acetyl]-methyl-amino}-propyl)-carbamic acid tert-butyl ester
• CAS: 622799-85-3
• 化学式: C₃₆H₄₄N₆O₁₀
• 分子量: 720.78
• InChiKey: ANGIEALSVPQMPP-ZSYSRXNISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  52.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  210.39
• 氢给体数：
  5.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  ((1S,2S)-1-{[(2R,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-2-ylmethyl]-carbamoyl}-2-{[2-(9H-fluoren-9-ylmethoxycarbonylamino)-acetyl]-methyl-amino}-propyl)-carbamic acid tert-butyl ester 在 1,2-乙二硫醇 、 二乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 (S)-2-{3-[(S)-1-((1S,2S)-2-[(2-Amino-acetyl)-methyl-amino]-1-{[(2R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-2-ylmethyl]-carbamoyl}-propylcarbamoyl)-3-methyl-butyl]-ureido}-3-(1H-indol-3-yl)-propionic acid
  参考文献：
  名称：

  Synthetic dihydropacidamycin antibiotics

  摘要：

  Dihydropacidamycins having an antibacterial spectrum modified from that of the natural product pacidamycins and mureidomycins have been synthesized. Synthetic dihydropacidamycins with noteworthy antibacterial activity against wild-type and resistant Escherichia coli have been identified (MIC = 4-8 mug/mL). Some dihydropacidamycins are shown to have activity against multi-resistant clinical strains of Mycobacterium tuberculosis. Compounds of this class are inhibitors of the cell wall biosynthetic enzyme, MraY. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00682-6
• 作为产物：
  描述：

  (2S,3S)-2-tert-Butoxycarbonylamino-3-{[2-(9H-fluoren-9-ylmethoxycarbonylamino)-acetyl]-methyl-amino}-butyric acid 在 N,N'-二环己基碳二亚胺 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 ((1S,2S)-1-{[(2R,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-2-ylmethyl]-carbamoyl}-2-{[2-(9H-fluoren-9-ylmethoxycarbonylamino)-acetyl]-methyl-amino}-propyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Synthetic dihydropacidamycin antibiotics

  摘要：

  Dihydropacidamycins having an antibacterial spectrum modified from that of the natural product pacidamycins and mureidomycins have been synthesized. Synthetic dihydropacidamycins with noteworthy antibacterial activity against wild-type and resistant Escherichia coli have been identified (MIC = 4-8 mug/mL). Some dihydropacidamycins are shown to have activity against multi-resistant clinical strains of Mycobacterium tuberculosis. Compounds of this class are inhibitors of the cell wall biosynthetic enzyme, MraY. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00682-6