5362065 -OEChem-10051719203D 45 47 0 1 0 0 0 0 0999 V2000 1.2677 -2.0984 -1.6772 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7972 -2.3528 0.1605 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 0.2225 2.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -0.1624 1.8941 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5751 1.4208 0.2448 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 -0.0409 2.3015 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4479 1.9893 -0.0332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0579 5.1208 -1.0733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 3.5080 0.2959 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 -1.0514 0.5215 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 -1.0612 0.3955 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6759 1.3767 -0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0331 -0.0475 -0.7249 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1849 -0.7317 -1.4264 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 -2.2103 0.1024 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4316 -1.6758 1.0149 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4887 -0.6447 1.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5056 -0.6827 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0496 -2.1351 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9048 -1.1940 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2928 0.3269 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 -0.3095 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1772 -0.9029 -1.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7822 0.2174 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3164 -0.8066 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 -0.5511 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2465 -1.7880 0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0226 -0.9126 -0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4154 3.2427 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1106 3.9346 -0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 -3.1569 0.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1399 -2.3871 1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 -1.1843 -0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1225 -1.8725 -3.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 -3.1625 -1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 -0.7462 -2.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2353 -0.5753 -1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4069 -0.9879 -0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1635 0.4782 2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6101 -2.3784 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5027 3.0834 -1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 3.8723 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9245 -1.4262 -1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3586 0.1046 -1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7851 5.5940 -0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 39 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 12 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 45 1 0 0 0 0 9 30 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 11 33 1 0 0 0 0 12 24 2 0 0 0 0 13 26 1 0 0 0 0 13 28 2 0 0 0 0 14 28 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 2 0 0 0 0 27 40 1 0 0 0 0 29 30 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 M END > DB00671 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OKBVVJOGVLARMR-QSWIMTSFSA-N/SDF?record_type=3d > [H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\C1=CSC(N)=N1)C(O)=O > InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1 > OKBVVJOGVLARMR-QSWIMTSFSA-N > C16H15N5O7S2 > 453.45 > 453.041289239 > 10 > 45 > -1.9990602971766174 > 41.933885359051445 > 1 > 4 > 0 > 0 > (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 0.25 > -1.2801244766448532 > -3.64 > 1 > -2 > 3 > -2 > 3.1548452170289254 > 2.5401682920574404 > 4.068898013560026 > 184.51000000000002 > 104.91179999999999 > 8 > 1 > 1.04e-01 g/l > biotin > 0 $$$$