[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[[2-[[13-(3a,7a-dihydro-3H-indol-3-ylmethyl)-16-[(4-hydroxyphenyl)methyl]-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[2-[[1-[1-(1-methylpyridin-1-ium-3-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoyl]amino]acetate

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[[2-[[13-(3a,7a-dihydro-3H-indol-3-ylmethyl)-16-[(4-hydroxyphenyl)methyl]-10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-19-[[2-[[1-[1-(1-methylpyridin-1-ium-3-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoyl]amino]acetate
• 化学式: C105H145N14O17S2+
• 分子量: 1939.5
• InChiKey: VUFRMEYNUNRACV-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  138
• 可旋转键数：
  33
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  474
• 氢给体数：
  12
• 氢受体数：
  20