15574941 -OEChem-10051721273D 43 45 0 1 0 0 0 0 0999 V2000 -1.1475 0.8258 1.0526 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1882 -2.4319 -1.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4114 1.0008 -1.0193 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3415 -1.0572 -0.0414 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 -1.4267 1.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6914 -1.0315 0.1068 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4398 -1.5115 -0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 -1.4476 0.5227 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8894 -1.7681 -0.2221 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7598 -2.0666 -0.8961 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.6856 -0.9195 1.1673 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8389 1.3496 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2995 0.1753 -0.4159 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8519 -1.9520 0.3964 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0005 -1.9479 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7096 1.5877 1.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7103 2.6434 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7765 -0.0559 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5622 -1.2831 0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 -0.8518 -0.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8702 0.6544 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 1.3062 -1.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5622 1.3533 0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 2.6963 -1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 2.7435 0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 3.4149 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0609 -1.2389 2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9508 0.2907 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7598 -2.9189 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2652 2.3406 2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7019 1.9608 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8571 0.6729 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 3.4555 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0619 2.5156 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 2.9817 -0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5306 -1.3608 -1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7053 -1.2721 -1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3828 0.8687 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 0.7566 -2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0367 0.8567 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8547 3.2191 -2.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 3.3038 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 4.4974 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 15 2 0 0 0 0 3 18 1 0 0 0 0 3 38 1 0 0 0 0 4 18 2 0 0 0 0 5 19 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M CHG 2 9 1 10 -1 M END > DB08795 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ODFHGIPNGIAMDK-NJBDSQKTSA-N/SDF?record_type=3d > [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])C1=CC=CC=C1)C(O)=O > InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1 > ODFHGIPNGIAMDK-NJBDSQKTSA-N > C16H17N5O4S > 375.402 > 375.100124747 > 6 > 43 > -0.9998087713229442 > 35.87020806966815 > 1 > 2 > 0 > 1 > (2S,5R,6R)-6-[(2R)-2-azido-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > 2.32 > 1.1858639233333335 > -2.79 > 0 > -1 > 3 > -1 > 11.699269545428763 > 3.324884822141838 > -6.389920719441351 > 116.13999999999999 > 92.15849999999999 > 5 > 1 > 6.11e-01 g/l > tetrahydrofolic acid > 0 $$$$