"1" . "InChIKey=YPTMOJMDCPUCJT-CYBMUJFWSA-M" . "C10H12O" . "14.48" . "0" . "104.64" . "(2S)-2-amino-6-methylideneheptanedioic acid" . "356.054" . "ALOGPS" . "-0.54" . "8.17" . "InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)" . "C8H18O4" . "331.43" . "ChemAxon" .