17513 -OEChem-01271917173D 32 33 0 1 0 0 0 0 0999 V2000 1.8024 -0.5750 -0.9395 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2486 2.3485 1.0771 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 1.9452 -0.4627 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3611 -2.8041 -0.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 0.9424 -0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3906 -0.0663 -0.1896 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9652 -1.5387 0.3582 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 1.8801 -0.7099 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7613 -1.2121 0.4274 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 1.0161 0.8065 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9467 0.4685 -0.4354 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0949 0.8858 0.4253 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1136 -0.4300 -0.3463 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3735 -1.6367 0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5842 0.5909 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6729 -1.3424 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5391 -0.3375 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9569 -0.1348 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 0.4016 1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 1.2181 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 0.9248 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8316 -0.4170 -1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6043 -1.7542 1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3503 -1.5637 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 2.8939 0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 1.8055 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0936 -2.0823 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -2.8553 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8323 2.4472 -0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 2.3603 -0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3696 -2.1118 0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7717 -1.1245 0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 25 1 0 0 0 0 3 12 1 0 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 5 18 2 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 18 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 M END > DB04944 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RTRQQBHATOEIAF-UUOKFMHZSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@]([H])([C@H](O)[C@@H]1O)N1C=NC(C(N)=O)=C1N > InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1 > RTRQQBHATOEIAF-UUOKFMHZSA-N > C9H14N4O5 > 258.2313 > 258.096419578 > 7 > 32 > 24.028726428655748 > 1 > 5 > 0 > 0 > 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-4-carboxamide > -1.78 > -2.5583196740000003 > -1.01 > 0 > 2 > 0 > 13.779224768449037 > 12.449646702436821 > 4.819993469292915 > 156.85 > 58.269200000000005 > 3 > 1 > 2.50e+01 g/l > ceftobiprole > 0 $$$$