CAS 74405-44-0|4-{[5-(4-benzamido-2-oxopyrimidin-1-yl)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}oxolan-3-yl]oxy}-4-oxobutanoic acid|4-{[5-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[bis(...

基本信息

化学结构

分子式

C₄₁H₃₉N₃O₁₀

分子量

733.76246

精确质量

733.26354446

电荷

InChI

InChI=1S/C41H39N3O10/c1-50-31-17-13-29(14-18-31)41(28-11-7-4-8-12-28,30-15-19-32(51-2)20-16-30)52-26-34-33(54-38(47)22-21-37(45)46)25-36(53-34)44-24-23-35(43-40(44)49)42-39(48)27-9-5-3-6-10-27/h3-20,23-24,33-34,36H,21-22,25-26H2,1-2H3,(H,45,46)(H,42,43,48,49)

InChIKey

GJWDGMQWTLYOCO-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OCC1OC(CC1OC(=O)CCC(=O)O)n1ccc(nc1=O)NC(=O)c1ccccc1

Isomeric Smiles

COc1ccc(cc1)C(c1ccccc1)(c1ccc(cc1)OC)OCC1C(CC(O1)n1ccc(nc1=O)NC(=O)c1ccccc1)OC(=O)CCC(=O)O

计算属性

JChem

Acid pKa

3.8466969

质子受体

质子供体