(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[4-[[(E)-[(3E)-3-(methylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]carbamothioylamino]butanoylamino]pentanediamide | 1207290-70-7

• 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: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[4-[[(E)-[(3E)-3-(methylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]carbamothioylamino]butanoylamino]pentanediamide
• CAS: 1207290-70-7
• 化学式: C₅₄H₈₃N₁₉O₁₀S₃
• 分子量: 1254.57
• InChiKey: YIAFZCXIHGTRKE-MAVRZWDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  86
• 可旋转键数：
  36
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  526
• 氢给体数：
  16
• 氢受体数：
  16

文献信息

• PROCESS FOR THE PREPARATION OF ASYMMETRICAL BIS(THIOSEMICARBAZONES)
  申请人：The University of Melbourne

  公开号：US20150353487A1

  公开（公告）日：2015-12-10

  The present invention relates to a method of making asymmetrical bis(thiosemicarbazones), compounds useful as synthetic intermediates in the method, new bis(thiosemicarbazones) that can be readily accessed by use of the method and methods of treatment and imaging utilising some of the new bis(thiosemicarbazones).