3-[[2-(2-Aminopentanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-4-[[1-carboxy-2-[2-[(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxycarbonyloxy]ethyldisulfanyl]ethyl]amino]-4-oxobutanoic 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: 3-[[2-(2-Aminopentanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-4-[[1-carboxy-2-[2-[(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxycarbonyloxy]ethyldisulfanyl]ethyl]amino]-4-oxobutanoic acid
• 英文别名: 3-[[2-(2-aminopentanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-4-[[1-carboxy-2-[2-[(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxycarbonyloxy]ethyldisulfanyl]ethyl]amino]-4-oxobutanoic acid
• 化学式: C₄₃H₅₅N₉O₁₄S₂
• 分子量: 986.1
• InChiKey: IJNFSSJKRYELRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  68
• 可旋转键数：
  26
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  418
• 氢给体数：
  9
• 氢受体数：
  19