5479539 -OEChem-05281814003D 57 61 0 1 0 0 0 0 0999 V2000 0.1611 -0.1614 -1.6906 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7091 3.0433 1.4998 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3385 -1.9225 2.3441 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0015 0.4522 3.2492 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3077 -1.4215 3.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1656 -2.0606 0.8242 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2094 -1.8825 -2.0966 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2365 -1.2625 0.7211 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 0.2230 0.0670 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5269 -1.1747 -0.6042 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4877 -0.5900 -1.6304 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8442 1.9061 -0.5253 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5823 4.1040 -0.0616 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -1.6399 -0.6614 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4107 -2.0387 -0.2229 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8982 -1.7900 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 0.0557 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3219 -0.5793 1.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 0.1459 -1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3903 0.8181 0.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4818 0.9955 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4367 2.4825 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 0.4517 -1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 2.7724 -1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4344 1.5295 -1.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7006 -1.1134 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 -0.5089 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 -0.9176 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7844 -1.2829 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8035 -1.7125 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7697 -0.2872 -0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9382 1.0377 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2255 1.4469 1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8108 3.0121 0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0321 -2.1302 -3.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6379 -2.4867 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6402 -3.0930 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 1.1511 -1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -0.5636 -1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5929 0.8002 1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2675 1.8630 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7568 2.7839 -1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1745 2.9835 0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3899 -0.4624 -1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4837 2.9162 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0069 3.6868 -1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 1.5996 -2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5024 1.3845 -1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9612 -1.7133 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -1.3690 -1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 -2.7928 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4699 0.9315 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 -1.4112 -4.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8198 -3.1371 -3.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0889 -2.0736 -2.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5247 4.9393 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2457 4.1276 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 16 2 0 0 0 0 4 27 1 0 0 0 0 5 27 2 0 0 0 0 6 29 2 0 0 0 0 7 11 1 0 0 0 0 7 35 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 26 2 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 10 44 1 0 0 0 0 11 31 2 0 0 0 0 12 32 1 0 0 0 0 12 34 2 0 0 0 0 13 34 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 27 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 30 1 0 0 0 0 26 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 31 1 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 M CHG 2 4 -1 9 1 M END > DB13682 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DKOQGJHPHLTOJR-WHRDSVKCSA-N/SDF?record_type=3d > [H][C@]12SCC(C[N+]3=C4CCCC4=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C([O-])=O > InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1 > DKOQGJHPHLTOJR-WHRDSVKCSA-N > C22H22N6O5S2 > 514.577 > 514.109309224 > 8 > 57 > 50.940347049398554 > 1 > 2 > 0 > 0 > 1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-5H,6H,7H-cyclopenta[b]pyridin-1-ium > -1.01 > -4.020851634450208 > -4.90 > 1 > 5 > 0 > 10.806327547127056 > 2.674932085784361 > 3.5370084810363314 > 153.92 > 141.296 > 7 > 0 > 7.21e-03 g/l > 1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-5H,6H,7H-cyclopenta[b]pyridin-1-ium > 0 $$$$