17754173 -OEChem-10051719433D 42 43 0 1 0 0 0 0 0999 V2000 -0.0259 1.8058 1.1905 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3311 2.9935 0.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2558 1.8831 2.6212 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 -3.8269 -0.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8373 0.5539 0.1566 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3391 2.6138 -1.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8924 -0.4775 -1.2853 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 0.5690 0.8650 N 0 0 2 0 0 0 0 0 0 0 0 0 1.2708 -3.0984 0.6337 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0681 2.0279 -1.4499 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 0.4065 -0.5390 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6876 -1.7072 0.5894 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5700 -1.0968 -0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8051 -0.7834 1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 0.9933 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 1.1233 0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 0.3218 1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 1.3870 -0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4821 -0.2158 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 0.8493 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 -5.0812 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7734 0.0480 -0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7231 -1.2888 -0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9263 0.9025 -1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 -1.6218 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 -1.4164 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -1.3835 -1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -1.0751 1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0695 -0.8256 2.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -3.4413 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 2.4872 -1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 0.1074 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1236 2.0139 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1038 -0.8286 1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1395 1.0591 -2.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 -5.6334 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9672 -4.9396 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 -5.6664 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 2.1301 -2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5656 -1.6226 -1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1428 -0.7152 0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1979 -2.1886 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 6 39 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 10 15 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > DB01877 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OJLWCTMBGWSVFC-JOYOIKCWSA-N/SDF?record_type=3d > CON[C@H]1C[C@@H](N(C1)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO > InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9-,12+/m0/s1 > OJLWCTMBGWSVFC-JOYOIKCWSA-N > C13H19N3O6S > 345.371 > 345.099456045 > 7 > 42 > -0.018225194857740698 > 33.547160873854104 > 1 > 3 > 0 > 0 > (2R,4S)-N-hydroxy-4-(methoxyamino)-1-(4-methoxybenzenesulfonyl)pyrrolidine-2-carboxamide > -0.31 > -0.613409962666666 > -2.17 > 0 > 0 > 2 > 0 > 16.76011588719061 > 8.711617621333316 > 3.919902956927157 > 117.2 > 91.14529999999999 > 5 > 1 > 2.32e+00 g/l > tetrahydrofolic acid > 0 $$$$