N-(((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-hydroxypropan-2-yl)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide | 1255438-92-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: N-(((2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-hydroxypropan-2-yl)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1,9,5]dioxaazacyclotetradecin-8-yl)methyl)-4-fluoro-N-methylbenzenesulfonamide
• 英文别名: N-{[(2S,8R,9R)-14-(3-(3,5-dimethylisoxazol-4-yl)ureido)-11-((2S)-1-hydroxypropan-2-yl)-2,9-dimethyl-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxaazacyclotetradecin-8-yl]methyl}-4-fluoro-N-methylbenzenesulfonamide；3-(dimethyl-1,2-oxazol-4-yl)-1-[(2S,8R,9R)-11-[(2S)-1-hydroxypropan-2-yl]-2,9-dimethyl-8-{[N-methyl(4-fluorobenzene)sulfonamido]methyl}-12-oxo-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxazacyclotetradecin-14-yl]urea；1-(3,5-dimethyl-4-isoxazolyl)-3-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea；1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
• CAS: 1255438-92-6
• 化学式: C₃₄H₄₆FN₅O₈S
• 分子量: 703.832
• InChiKey: QZGZJXQISXQUBP-JVKDHZECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  49
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  172
• 氢给体数：
  3
• 氢受体数：
  11