3-[18-[[5-Amino-2-[[4-[[4-amino-2-[(3-hydroxy-2,4,6-trimethylheptanoyl)amino]-4-oxobutanoyl]amino]-7-(diaminomethylideneamino)-2,3-dihydroxyheptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]-12-[3-(diaminomethylideneamino)propyl]-15-(1-hydroxyethyl)-3-[(4-hydroxyphenyl)-methoxymethyl]-7,19-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,21-heptaoxo-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-6-yl]propanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 3-[18-[[5-Amino-2-[[4-[[4-amino-2-[(3-hydroxy-2,4,6-trimethylheptanoyl)amino]-4-oxobutanoyl]amino]-7-(diaminomethylideneamino)-2,3-dihydroxyheptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]-12-[3-(diaminomethylideneamino)propyl]-15-(1-hydroxyethyl)-3-[(4-hydroxyphenyl)-methoxymethyl]-7,19-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,21-heptaoxo-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-6-yl]propanoic acid
• 英文别名: 3-[18-[[5-amino-2-[[4-[[4-amino-2-[(3-hydroxy-2,4,6-trimethylheptanoyl)amino]-4-oxobutanoyl]amino]-7-(diaminomethylideneamino)-2,3-dihydroxyheptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]-12-[3-(diaminomethylideneamino)propyl]-15-(1-hydroxyethyl)-3-[(4-hydroxyphenyl)-methoxymethyl]-7,19-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,21-heptaoxo-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-6-yl]propanoic acid
• 化学式: C₇₁H₁₁₈N₁₈O₂₂
• 分子量: 1575.8
• InChiKey: BAYIUKNWFJLOEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  111
• 可旋转键数：
  36
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  662
• 氢给体数：
  20
• 氢受体数：
  24