Acetyl chloride;3-[4-(3-acetyl-2,4-dimethyl-5-oxoimidazolidin-1-yl)phenyl]-2-(ethanethioylamino)propanoic acid;methyl 3-[4-(1-acetyl-2,5-dimethyl-4-oxopyrrolidin-3-yl)phenyl]-2-(ethanethioylamino)propanoate;methyl 2-(ethanethioylamino)-3-[4-[2-(ethylideneamino)propanoylamino]phenyl]propanoate

• 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: Acetyl chloride;3-[4-(3-acetyl-2,4-dimethyl-5-oxoimidazolidin-1-yl)phenyl]-2-(ethanethioylamino)propanoic acid;methyl 3-[4-(1-acetyl-2,5-dimethyl-4-oxopyrrolidin-3-yl)phenyl]-2-(ethanethioylamino)propanoate;methyl 2-(ethanethioylamino)-3-[4-[2-(ethylideneamino)propanoylamino]phenyl]propanoate
• 英文别名: acetyl chloride;3-[4-(3-acetyl-2,4-dimethyl-5-oxoimidazolidin-1-yl)phenyl]-2-(ethanethioylamino)propanoic acid;methyl 3-[4-(1-acetyl-2,5-dimethyl-4-oxopyrrolidin-3-yl)phenyl]-2-(ethanethioylamino)propanoate;methyl 2-(ethanethioylamino)-3-[4-[2-(ethylideneamino)propanoylamino]phenyl]propanoate
• 化学式: C57H75ClN8O12S3
• 分子量: 1195.9
• InChiKey: NXSBVQBZQIIPNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.45
• 重原子数：
  81
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  359
• 氢给体数：
  5
• 氢受体数：
  16