5-[[1-[[Carboxy(hydroxy)methyl]amino]-1-oxo-3-[31-oxo-19-(pyridin-4-ylmethyl)spiro[30-oxa-16-azaheptacyclo[19.10.1.111,17.112,17.01,18.05,10.029,32]tetratriaconta-5,7,9,18,29(32)-pentaen-2-yne-27,1'-cyclopentane]-28-yl]sulfanylpropan-2-yl]amino]-2-hydroxy-2-(methylaminomethylamino)-5-oxopentanoic 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: 5-[[1-[[Carboxy(hydroxy)methyl]amino]-1-oxo-3-[31-oxo-19-(pyridin-4-ylmethyl)spiro[30-oxa-16-azaheptacyclo[19.10.1.111,17.112,17.01,18.05,10.029,32]tetratriaconta-5,7,9,18,29(32)-pentaen-2-yne-27,1'-cyclopentane]-28-yl]sulfanylpropan-2-yl]amino]-2-hydroxy-2-(methylaminomethylamino)-5-oxopentanoic acid
• 英文别名: 5-[[1-[[carboxy(hydroxy)methyl]amino]-1-oxo-3-[31-oxo-19-(pyridin-4-ylmethyl)spiro[30-oxa-16-azaheptacyclo[19.10.1.111,17.112,17.01,18.05,10.029,32]tetratriaconta-5,7,9,18,29(32)-pentaen-2-yne-27,1'-cyclopentane]-28-yl]sulfanylpropan-2-yl]amino]-2-hydroxy-2-(methylaminomethylamino)-5-oxopentanoic acid
• 化学式: C₅₄H₆₈N₆O₁₀S
• 分子量: 993.2
• InChiKey: BPYAPBCXRSXIEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  71
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  274
• 氢给体数：
  9
• 氢受体数：
  15