130336 -OEChem-01032017003D 15 15 0 1 0 0 0 0 0999 V2000 -2.5937 0.6088 -0.3761 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 0.1583 -0.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4735 0.8625 0.5845 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 0.0906 0.7099 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2770 -1.3321 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 -1.1751 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 0.1861 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6787 0.6009 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 0.2371 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0335 -1.8009 1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 -1.9681 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6907 -1.9538 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 -1.1679 -1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5699 1.8172 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3191 1.4171 -0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 8 15 1 0 0 0 0 M END > DB03901 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XBGYMVTXOUKXLG-BYPYZUCNSA-N/SDF?record_type=3d > O=C[C@@H]1CCC(=O)N1 > InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1 > XBGYMVTXOUKXLG-BYPYZUCNSA-N > C5H7NO2 > 113.1146 > 113.047678473 > 2 > 15 > -1.7909741847402505e-05 > 10.703649453301786 > 1 > 1 > 0 > 0 > (2S)-5-oxopyrrolidine-2-carbaldehyde > -1.0482859546666667 > 0 > 0 > 1 > 0 > 18.626158155028453 > 11.746885361057299 > -2.139371482525064 > 46.17 > 27.162399999999998 > 1 > 1 > (2S)-2-({4-[(2E)-N-({2-amino-4-oxo-1H-pyrido[3,2-d]pyrimidin-6-yl}methyl)-3-{5-carbamoyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}prop-2-enamido]phenyl}formamido)pentanedioic acid > 0 $$$$