(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoate | 14486-08-9

• 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)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoate
• CAS: 14486-08-9
• 化学式: C13H25N3O4S2
• 分子量: 351.5
• InChiKey: FMYLZGQFKPHXHI-GUBZILKMSA-N

物化性质

• 沸点：
  689.6±55.0 °C(Predicted)
• 密度：
  1.244±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  177
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• The application of circular dichroism spectroscopy for the determination of metal ion speciation and coordination modes of peptide complexes
  作者：Katalin Ősz、Beáta Bóka、Katalin Várnagy、Imre Sóvágó、Tibor Kurtán、Sándor Antus

  DOI：10.1016/s0277-5387(02)01151-8

  日期：2002.9

  Copper(II) and nickel(II) complexes of the tripeptides containing methionyl residues (GlyGyMet, GlyMetGly, MetGlyGly, MetMetAla, MetGlyMet and MetMetMet) and palladium(II) complexes of GlyMet, MetGly, GlyMetGly and GlyGlyMet were studied by CD spectroscopic measurements. Complex formation reactions between copper(II), nickel(II) and tripeptides were very similar to each other, [MH-2L](-) being the major species in alkaline solutions. CD spectroscopy, however, was a very sensitive tool for the elucidation of small structural differences among peptide complexes, including the weak axial or equatorial coordinations of thioether residues. The significant differences in the spectral parameters of the species [CuL](+), [CuH-1L] and [CuH-2L](-) made it also possible to calculate the stability constants and metal ion speciation from CD measurements. (C) 2002 Elsevier Science Ltd. All rights reserved.