[2-(Dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-[[1-[(1-carbamimidoyl-2-hydroxypiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-3,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-nitrophenyl)methylamino]-3,4,5,6-tetrahydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]benzoate

• 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: [2-(Dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-[[1-[(1-carbamimidoyl-2-hydroxypiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-3,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-nitrophenyl)methylamino]-3,4,5,6-tetrahydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]benzoate
• 英文别名: [2-(dimethylamino)-2-oxoethyl] 5-[6-[2-[[2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[1-[[1-[(1-carbamimidoyl-2-hydroxypiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[2-[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-4-[6-[(4-nitrophenyl)methylamino]-3,6-dihydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]ethylsulfanylmethyl]-4-[6-[(4-nitrophenyl)methylamino]-3,4,5,6-tetrahydropurin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]-2-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]benzoate
• 化学式: C129H195N25O58P4S2
• 分子量: 3212.1
• InChiKey: UUOZCNCGIWBQIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.8
• 重原子数：
  218
• 可旋转键数：
  106
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  1080
• 氢给体数：
  18
• 氢受体数：
  67