5479537 -OEChem-10051719353D 56 59 0 1 0 0 0 0 0999 V2000 -0.6787 0.5559 -1.8131 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 -3.3202 0.9038 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4662 1.3076 2.6313 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8755 -1.2293 2.7547 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2148 0.6124 2.9744 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 1.8233 1.4181 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6623 2.3569 -1.3682 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2799 -0.2863 -0.5523 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9642 1.0462 0.7777 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 1.2956 -0.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9368 0.9922 -1.2032 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -1.7238 -0.6946 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0295 -3.9642 -0.7113 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5715 -0.9733 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3011 -0.3995 -2.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0546 -0.9886 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0833 -1.7321 -1.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7175 -0.8239 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2628 1.1730 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8057 -0.1449 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6498 1.7454 -0.4530 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7297 2.0361 0.1802 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0628 0.2698 0.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4344 0.1291 -1.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 1.4442 1.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4216 -0.1603 2.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1007 1.2721 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 0.4447 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -0.9857 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 -1.6778 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2146 -2.9679 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5618 2.8733 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2812 -0.1944 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3602 -1.6212 0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6179 -1.1918 -2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0449 0.5582 -2.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2845 -1.2117 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9392 -1.9535 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5696 -2.6964 -1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1586 -1.9229 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3818 0.0480 -2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7802 -1.3295 -3.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2182 1.2125 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4342 1.7181 -0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1959 1.6331 -0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 2.6392 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 3.1078 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0108 0.9515 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 -0.7699 -2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 0.7743 -1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7156 -1.3228 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5955 2.7581 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 2.3646 -3.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 3.9379 -2.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9495 -4.9130 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7495 -3.7992 -1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 25 2 0 0 0 0 4 26 1 0 0 0 0 5 26 2 0 0 0 0 6 27 2 0 0 0 0 7 11 1 0 0 0 0 7 32 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 10 22 1 0 0 0 0 10 27 1 0 0 0 0 10 50 1 0 0 0 0 11 28 2 0 0 0 0 12 29 1 0 0 0 0 12 31 2 0 0 0 0 13 31 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M CHG 2 4 -1 8 1 M END > DB01413 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HVFLCNVBZFFHBT-ZKDACBOMSA-N/SDF?record_type=3d > CO\N=C(/C(=O)N[C@@H]1C(=O)N2[C@]1([H])SCC(C[N+]1(C)CCCC1)=C2C([O-])=O)C1=CSC(N)=N1 > InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1 > HVFLCNVBZFFHBT-ZKDACBOMSA-N > C19H24N6O5S2 > 480.561 > 480.124959288 > 8 > 56 > 0.00032054678013393456 > 47.52971026493263 > 1 > 2 > 0 > 0 > 1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-1-methylpyrrolidin-1-ium > -0.37 > -4.219336860956763 > -4.49 > 1 > 0 > 4 > 0 > 11.15042078124019 > 2.82288357808893 > 3.6170602131440495 > 150.04 > 141.97529999999995 > 7 > 1 > 1.73e-02 g/l > biotin > 0 $$$$