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(2S)-3-[[(1S,3R,8S,11S,13S,16S,18S,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-20-[[(2S)-2-carboxy-2-[3-[2-(3-oxobutoxy)ethoxy]propanoylamino]ethyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanyl]-2-(methylamino)propanoic acid

中文名称
——
中文别名
——
英文名称
(2S)-3-[[(1S,3R,8S,11S,13S,16S,18S,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-20-[[(2S)-2-carboxy-2-[3-[2-(3-oxobutoxy)ethoxy]propanoylamino]ethyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanyl]-2-(methylamino)propanoic acid
英文别名
——
(2S)-3-[[(1S,3R,8S,11S,13S,16S,18S,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-20-[[(2S)-2-carboxy-2-[3-[2-(3-oxobutoxy)ethoxy]propanoylamino]ethyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanyl]-2-(methylamino)propanoic acid化学式
CAS
——
化学式
C58H96N2O41S2
mdl
——
分子量
1541.5
InChiKey
ZWAMQGLOCSIARN-FUDLSUONSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -17.2
  • 重原子数:
    103
  • 可旋转键数:
    26
  • 环数:
    21.0
  • sp3杂化的碳原子比例:
    0.93
  • 拓扑面积:
    715
  • 氢给体数:
    23
  • 氢受体数:
    44