"C6H7NO" . "ChemAxon" . "1" . "2" . "556.652" . "0" . "4.06" . "4" . "InChI=1S/C21H33N5O4/c1-2-30-21(29)24-17(15-16-9-4-3-5-10-16)20(28)26-14-8-11-18(26)19(27)25-23-13-7-6-12-22/h3-5,9-10,17-18,23H,2,6-8,11-15,22H2,1H3,(H,24,29)(H,25,27)/t17-,18+/m1/s1" . "351.169524941" . "-0.27" . "3" . "-1.8" . "InChIKey=XDBHURGONHZNJF-UHFFFAOYSA-N" . "ALOGPS" . "5" . "C10H8N2O2" . "N-[(2S)-octan-2-yl]formamide" .