9570757 -OEChem-10051719113D 50 53 0 1 0 0 0 0 0999 V2000 0.0416 1.1398 -2.2052 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9906 -0.8113 -0.4686 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0903 -3.5874 1.3712 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9932 2.0506 2.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1155 2.6804 2.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 0.4388 2.2233 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0223 1.5348 1.3465 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 1.3341 -1.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3003 2.0029 0.2822 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 1.2678 -0.4853 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4496 -0.0209 -0.9941 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4195 -2.1289 -0.3311 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 -2.6344 -0.2082 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 0.0150 -0.5763 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7413 -1.9087 -0.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8669 -0.5957 -0.5116 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9381 -4.9828 0.0636 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 2.4239 -0.9631 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6597 2.3702 -0.2050 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7906 2.1471 1.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5986 1.6203 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3417 1.3216 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7753 1.2876 -2.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8094 0.9687 -0.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 1.4820 1.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6615 0.9726 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4634 -0.2037 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7539 -0.9520 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 -1.5718 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -1.8907 1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9077 -3.4671 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4315 -3.7462 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7092 1.4433 -2.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0165 3.4343 -1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 3.3323 -0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 0.4285 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 2.1938 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4315 0.6875 -1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3113 1.4835 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3026 1.3034 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 2.6340 3.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4144 -1.2415 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3084 -3.5076 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7411 -4.1706 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2998 -3.7096 -1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 2.4982 -2.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5011 0.8867 -3.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6267 1.0714 -1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7300 -5.1211 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -5.8168 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 30 1 0 0 0 0 3 32 1 0 0 0 0 4 20 2 0 0 0 0 5 25 1 0 0 0 0 5 41 1 0 0 0 0 6 25 2 0 0 0 0 7 26 2 0 0 0 0 8 11 1 0 0 0 0 8 33 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 19 1 0 0 0 0 10 26 1 0 0 0 0 10 38 1 0 0 0 0 11 27 2 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 12 31 1 0 0 0 0 13 29 1 0 0 0 0 13 32 2 0 0 0 0 14 16 1 0 0 0 0 14 28 2 0 0 0 0 15 16 2 0 0 0 0 17 32 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 42 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 45 1 0 0 0 0 33 46 1 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 M END > DB00267 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HJJDBAOLQAWBMH-YCRCPZNHSA-N/SDF?record_type=3d > [H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O > InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1 > HJJDBAOLQAWBMH-YCRCPZNHSA-N > C16H17N9O5S3 > 511.558 > 511.051476769 > 11 > 50 > -0.9998687834949718 > 47.04713498955671 > 0 > 3 > 0 > 0 > (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > -0.13 > -0.9348491280067609 > -3.06 > 1 > -1 > 4 > -1 > 10.798311383499943 > 2.622478475431036 > 3.5254688824882363 > 190.81 > 133.5115 > 8 > 0 > 4.46e-01 g/l > tetrahydrofolic acid > 0 $$$$