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3-[(1R,6R,9S,12S,15S,18S,21S,24S,27S,30R,33S,36S,42S,45S,50R)-50-[(2-amino-1-hydroxyethylidene)amino]-8,11,14,17,20,23,26,29,32,35,44,47,49-tridecahydroxy-6-(C-hydroxycarbonimidoyl)-12,42-bis(2-hydroxy-2-iminoethyl)-15,45-bis(hydroxymethyl)-18,27-bis(1H-imidazol-5-ylmethyl)-9,24-bis(2-methylpropyl)-41-oxo-33-propan-2-yl-3,4,52,53-tetrathia-7,10,13,16,19,22,25,28,31,34,40,43,46,48-tetradecazatricyclo[28.17.7.036,40]tetrapentaconta-7,10,13,16,19,22,25,28,31,34,43,46,48-tridecaen-21-yl]propanoic acid

中文名称
——
中文别名
——
英文名称
3-[(1R,6R,9S,12S,15S,18S,21S,24S,27S,30R,33S,36S,42S,45S,50R)-50-[(2-amino-1-hydroxyethylidene)amino]-8,11,14,17,20,23,26,29,32,35,44,47,49-tridecahydroxy-6-(C-hydroxycarbonimidoyl)-12,42-bis(2-hydroxy-2-iminoethyl)-15,45-bis(hydroxymethyl)-18,27-bis(1H-imidazol-5-ylmethyl)-9,24-bis(2-methylpropyl)-41-oxo-33-propan-2-yl-3,4,52,53-tetrathia-7,10,13,16,19,22,25,28,31,34,40,43,46,48-tetradecazatricyclo[28.17.7.036,40]tetrapentaconta-7,10,13,16,19,22,25,28,31,34,43,46,48-tridecaen-21-yl]propanoic acid
英文别名
——
3-[(1R,6R,9S,12S,15S,18S,21S,24S,27S,30R,33S,36S,42S,45S,50R)-50-[(2-amino-1-hydroxyethylidene)amino]-8,11,14,17,20,23,26,29,32,35,44,47,49-tridecahydroxy-6-(C-hydroxycarbonimidoyl)-12,42-bis(2-hydroxy-2-iminoethyl)-15,45-bis(hydroxymethyl)-18,27-bis(1H-imidazol-5-ylmethyl)-9,24-bis(2-methylpropyl)-41-oxo-33-propan-2-yl-3,4,52,53-tetrathia-7,10,13,16,19,22,25,28,31,34,40,43,46,48-tetradecazatricyclo[28.17.7.036,40]tetrapentaconta-7,10,13,16,19,22,25,28,31,34,43,46,48-tridecaen-21-yl]propanoic acid化学式
CAS
——
化学式
C67H103N23O22S4
mdl
——
分子量
1710.9
InChiKey
DUQYFGMBLOPGBY-XCQLYXDWSA-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):
    -9.5
  • 重原子数:
    116
  • 可旋转键数:
    21
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.63
  • 拓扑面积:
    819
  • 氢给体数:
    23
  • 氢受体数:
    29