"49.56" . "20.23" . "InChIKey=CPJBKHZROFMSQM-NSHDSACASA-N" . "361.776" . "1" . "2.96" . "416.110732238" . "453.958" . "(2S)-2-amino-3-{3-oxo-2H,6H,7H,8H-cyclohepta[d][1,2]oxazol-4-yl}propanoic acid" . "-2.2" . "297.67" . "ALOGPS" . "InChI=1S/C20H12N4.Fe/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12H;/q-2;+7/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;" . "-3" . "12.9" . "C10H16N5O12P3S" . "2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-{[5-hydroxy-6-methyl-4-(trifluoroacetamido)oxan-2-yl]oxy}-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate" . "ChemAxon" . "6" . "12.6" .