6321416 -OEChem-10051723183D 57 59 0 1 0 0 0 0 0999 V2000 0.4381 2.5086 -1.6389 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 0.5831 2.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -0.3586 0.7987 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8092 0.7137 -1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 1.0782 2.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7615 0.3462 1.9512 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5298 -2.6093 0.9204 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6954 -2.2669 -1.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7934 1.5023 -0.1189 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0581 1.1625 -1.9135 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 -2.7584 1.2004 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3081 1.8202 0.8142 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 1.3412 0.1407 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5351 0.2359 -0.6618 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 -0.7554 -2.7978 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 2.8072 0.1417 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7118 2.1779 0.8910 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6360 1.3655 1.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 1.5929 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 2.0606 -0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3645 2.7828 -1.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6203 1.9204 -1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3805 0.7617 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 0.5151 0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 -0.2560 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -1.3127 1.5537 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9341 -1.5673 -0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0905 0.4385 -2.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0028 -0.8570 1.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7997 -2.2738 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 -3.4852 -1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0399 -3.4328 -1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3105 -3.2100 0.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 -4.5381 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0247 1.9671 -0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2902 3.8345 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 2.8948 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 3.8585 -1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6826 2.4341 -2.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6309 1.3564 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9394 2.7739 -1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 1.9212 -0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 -1.4165 2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1078 0.1264 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6215 -1.5780 2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4087 -0.7831 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0153 -1.9630 0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -4.2948 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3193 -1.3205 -2.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0237 -1.1100 -3.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5242 -4.1075 -2.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 -5.1854 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4844 -5.0142 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8781 -4.3980 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2321 2.9549 -0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9605 2.0545 -1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8386 1.2897 -0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 18 2 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 5 23 2 0 0 0 0 6 24 2 0 0 0 0 7 26 1 0 0 0 0 7 33 1 0 0 0 0 8 27 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 35 1 0 0 0 0 10 28 2 0 0 0 0 11 33 2 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 13 40 1 0 0 0 0 14 25 2 0 0 0 0 15 28 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 43 1 0 0 0 0 27 30 2 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 31 32 2 0 0 0 0 31 48 1 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 M END > DBSALT001355 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KEJCWVGMRLCZQQ-YJBYXUATSA-N/SDF?record_type=3d > CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(=O)OC(C)OC(C)=O)C1=CC=CO1 > InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10?,14-,18-/m1/s1 > KEJCWVGMRLCZQQ-YJBYXUATSA-N > C20H22N4O10S > 510.47 > 510.105664098 > 7 > 57 > 47.38562719206507 > 0 > 2 > 0 > 0 > 1-[(6R,7R)-3-[(carbamoyloxy)methyl]-7-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy]ethyl acetate > 0.55 > -0.43308885933333446 > -3.54 > 1 > 3 > 0 > 11.388745464967288 > 10.924806866390606 > -1.189772709478813 > 189.06 > 117.0305 > 12 > 0 > 1.47e-01 g/l > 1-[(6R,7R)-3-[(carbamoyloxy)methyl]-7-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy]ethyl acetate > 0 $$$$