1-[6-[[5-Carboxy-5-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]pentyl]amino]-6-oxohexyl]-2-[3-[1-[6-[[5-carboxy-5-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]pentyl]amino]-6-oxohexyl]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindole-5-sulfonate;nickel

• 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: 1-[6-[[5-Carboxy-5-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]pentyl]amino]-6-oxohexyl]-2-[3-[1-[6-[[5-carboxy-5-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]pentyl]amino]-6-oxohexyl]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindole-5-sulfonate;nickel
• 英文别名: 1-[6-[[5-carboxy-5-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]pentyl]amino]-6-oxohexyl]-2-[3-[1-[6-[[5-carboxy-5-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]pentyl]amino]-6-oxohexyl]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindole-5-sulfonate;nickel
• 化学式: C57H79N6Ni2O20S2-
• 分子量: 1349.8
• InChiKey: WNOIYXSZUNBCJJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.15
• 重原子数：
  87
• 可旋转键数：
  26
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  405
• 氢给体数：
  6
• 氢受体数：
  24