(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[6-[[5-[[2-[6-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-guanidino-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxy-propoxy]carbonylamino]hexylamino]-2-oxo-ethyl]amino]-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoyl]amino]hexylcarbamoyloxy]-2,3-dihydroxy-propyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid

• 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: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[6-[[5-[[2-[6-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-guanidino-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxy-propoxy]carbonylamino]hexylamino]-2-oxo-ethyl]amino]-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoyl]amino]hexylcarbamoyloxy]-2,3-dihydroxy-propyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid
• 英文别名: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[6-[[5-[[2-[6-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-2-oxoethyl]amino]-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-6-carboxylic acid
• 化学式: C₄₇H₇₅F₃N₁₄O₂₀
• 分子量: 1213.2
• InChiKey: LRVJCTHCERWTGX-LJHPWQGMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.3
• 重原子数：
  84
• 可旋转键数：
  37
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  554
• 氢给体数：
  18
• 氢受体数：
  25