N-[1-[6-amino-1-[1-[2-[[7-benzyl-3,6,9,15,21,24-hexahydroxy-4-(2-hydroxy-2-iminoethyl)-23-[(4-hydroxyphenyl)methyl]-12,19-dithia-2,5,8,16,22,25-hexazabicyclo[12.6.5]pentacosa-2,5,8,15,17,21,24-heptaen-10-yl]imino]-2-hydroxyethyl]imino-1-hydroxybut-2-en-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxypropan-2-yl]-3-[[[12-(4-aminobutyl)-15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxypropylidene]amino]-9-benzyl-5,8,11,14-tetrahydroxy-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-diene-7-carboximidic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: N-[1-[6-amino-1-[1-[2-[[7-benzyl-3,6,9,15,21,24-hexahydroxy-4-(2-hydroxy-2-iminoethyl)-23-[(4-hydroxyphenyl)methyl]-12,19-dithia-2,5,8,16,22,25-hexazabicyclo[12.6.5]pentacosa-2,5,8,15,17,21,24-heptaen-10-yl]imino]-2-hydroxyethyl]imino-1-hydroxybut-2-en-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxypropan-2-yl]-3-[[[12-(4-aminobutyl)-15-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxypropylidene]amino]-9-benzyl-5,8,11,14-tetrahydroxy-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-diene-7-carboximidic acid
• 化学式: C₉₈H₁₄₁N₂₅O₂₃S₄
• 分子量: 2165.6
• InChiKey: AHMZTHYNOXWCBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  150
• 可旋转键数：
  36
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  845
• 氢给体数：
  25
• 氢受体数：
  30