tert-butyl (((2S,8R,9R)-11-((S)-1-hydroxypropan-2-yl)-2,9-dimethyl-12-oxo-14-(3-phenylureido)-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1.9.5]dioxaazacyclotetradecin-8-yl)methyl)(methyl)carbamate | 1353557-44-4

• 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: tert-butyl (((2S,8R,9R)-11-((S)-1-hydroxypropan-2-yl)-2,9-dimethyl-12-oxo-14-(3-phenylureido)-2,3,4,5,6,8,9,10,11,12-decahydrobenzo[b][1.9.5]dioxaazacyclotetradecin-8-yl)methyl)(methyl)carbamate
• 英文别名: tert-butyl N-{[(2S,8R,9R)-11-[(2S)-1-hydroxypropan-2-yl]-2,9-dimethyl-12-oxo-14-[(phenylcarbamoyl)amino]-2,3,4,5,6,8,9,10,11,12-decahydro-1,7,11-benzodioxazacyclotetradecin-8-yl]methyl}-N-methylcarbamate；tert-butyl N-[[(3S,9R,10R)-12-[(1S)-2-hydroxy-1-methyl-ethyl]-3,10-dimethyl-13-oxo-16-(phenylcarbamoylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-9-yl]methyl]-N-methyl-carbamate；tert-butyl N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(phenylcarbamoylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcarbamate
• CAS: 1353557-44-4
• 化学式: C₃₄H₅₀N₄O₇
• 分子量: 626.794
• InChiKey: XNLOOWFCYHHJOD-DUXAABNJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  130
• 氢给体数：
  3
• 氢受体数：
  7