"1" . "4.48" . "ALOGPS" . "151.2056" . "39.34" . "3" . "CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS" . "InChI=1S/C39H42N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31-,35+,36-/m0/s1" . "7" . "129.8" . "-3.8" . "0" . "419.107039982" . "ChemAxon" . "CNCCC1=CC=CC=N1" .