N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N-[(3R)-3-hydroxy-3-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-[4-hydroxy-3-(trihydroxy-lambda4-sulfanyl)oxyphenyl]ethyl]-26-methyl-18-[[4-[5-[4-[4-(4-methylcyclohexyl)piperazin-1-yl]phenyl]-1,3,4-thiadiazol-2-yl]benzoyl]amino]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-yl]propyl]carbamate

• 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: N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N-[(3R)-3-hydroxy-3-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-[4-hydroxy-3-(trihydroxy-lambda4-sulfanyl)oxyphenyl]ethyl]-26-methyl-18-[[4-[5-[4-[4-(4-methylcyclohexyl)piperazin-1-yl]phenyl]-1,3,4-thiadiazol-2-yl]benzoyl]amino]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-yl]propyl]carbamate
• 英文别名: N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N-[(3R)-3-hydroxy-3-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-[4-hydroxy-3-(trihydroxy-λ4-sulfanyl)oxyphenyl]ethyl]-26-methyl-18-[[4-[5-[4-[4-(4-methylcyclohexyl)piperazin-1-yl]phenyl]-1,3,4-thiadiazol-2-yl]benzoyl]amino]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-3-yl]propyl]carbamate
• 化学式: C73H107N13O20S2
• 分子量: 1550.8
• InChiKey: YKXNVERTRGETNO-BQGOGQJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  108
• 可旋转键数：
  22
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  501
• 氢给体数：
  16
• 氢受体数：
  27