2-[[2-[Bis(carboxymethyl)amino]-3-[4-[[4-[3-[4-[2-[bis(carboxymethyl)amino]-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]anilino]-3-oxopropyl]-7-[4-[2-[bis(carboxymethyl)amino]-3-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propyl]anilino]-4-[3-[17-(1-butoxyethyl)-4-butyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14,16,18,20,22-decaen-23-yl]propanoylamino]-7-oxoheptanoyl]amino]phenyl]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 2-[[2-[Bis(carboxymethyl)amino]-3-[4-[[4-[3-[4-[2-[bis(carboxymethyl)amino]-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]anilino]-3-oxopropyl]-7-[4-[2-[bis(carboxymethyl)amino]-3-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propyl]anilino]-4-[3-[17-(1-butoxyethyl)-4-butyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14,16,18,20,22-decaen-23-yl]propanoylamino]-7-oxoheptanoyl]amino]phenyl]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
• 英文别名: 2-[[2-[bis(carboxymethyl)amino]-3-[4-[[4-[3-[4-[2-[bis(carboxymethyl)amino]-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]anilino]-3-oxopropyl]-7-[4-[2-[bis(carboxymethyl)amino]-3-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propyl]anilino]-4-[3-[17-(1-butoxyethyl)-4-butyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14,16,18,20,22-decaen-23-yl]propanoylamino]-7-oxoheptanoyl]amino]phenyl]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
• 化学式: C₁₁₃H₁₄₈N₁₈O₃₇
• 分子量: 2350.5
• InChiKey: LHRLHTHLMJRINR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.1
• 重原子数：
  168
• 可旋转键数：
  78
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  807
• 氢给体数：
  23
• 氢受体数：
  48