3-[[2-[(3-Carboxy-2-hydrazinylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-[[1-[1-[1-[4-[1-[[13-ethyl-4-[4-(4-ethyl-4-hydroxyhexyl)-2-methoxycarbonyl-3-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraen-2-yl]-5-methoxy-8,10,17-trimethyl-8-aza-17-azoniahexacyclo[11.6.1.01,9.02,7.09,11.017,20]icosa-2,4,6,14-tetraen-12-yl]oxy]prop-1-en-2-yl]phenyl]-4-methyl-2,5-dioxopyrrolidin-3-yl]sulfanylbutan-2-ylamino]-1-oxobutan-2-yl]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-[(3-Carboxy-2-hydrazinylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-[[1-[1-[1-[4-[1-[[13-ethyl-4-[4-(4-ethyl-4-hydroxyhexyl)-2-methoxycarbonyl-3-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraen-2-yl]-5-methoxy-8,10,17-trimethyl-8-aza-17-azoniahexacyclo[11.6.1.01,9.02,7.09,11.017,20]icosa-2,4,6,14-tetraen-12-yl]oxy]prop-1-en-2-yl]phenyl]-4-methyl-2,5-dioxopyrrolidin-3-yl]sulfanylbutan-2-ylamino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
• 英文别名: 3-[[2-[(3-carboxy-2-hydrazinylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-[[1-[1-[1-[4-[1-[[13-ethyl-4-[4-(4-ethyl-4-hydroxyhexyl)-2-methoxycarbonyl-3-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraen-2-yl]-5-methoxy-8,10,17-trimethyl-8-aza-17-azoniahexacyclo[11.6.1.01,9.02,7.09,11.017,20]icosa-2,4,6,14-tetraen-12-yl]oxy]prop-1-en-2-yl]phenyl]-4-methyl-2,5-dioxopyrrolidin-3-yl]sulfanylbutan-2-ylamino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
• 化学式: C87H122N13O15S+
• 分子量: 1622.0
• InChiKey: LIJOSWHJBDMQNA-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  116
• 可旋转键数：
  37
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  440
• 氢给体数：
  12
• 氢受体数：
  20