9577124 -OEChem-10061700073D 58 62 0 1 0 0 0 0 0999 V2000 5.2765 2.0395 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 -1.4024 1.0424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 3.0647 -0.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6038 0.4914 1.3006 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9379 1.9397 -0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 0.8640 -0.2235 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4303 -2.5713 0.1056 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7256 1.3075 0.0279 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 -0.3298 0.1041 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2412 0.1170 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9113 -0.4719 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 1.0457 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 1.4189 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3773 -0.3545 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3237 -1.2429 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -0.8762 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 1.8776 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2062 -0.7996 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0345 2.4418 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6581 -0.8536 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5914 0.7561 0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8325 -2.2400 -0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6846 -3.0671 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6398 -1.2783 -1.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7693 0.0762 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1153 -2.8103 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 -4.4366 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2779 -4.1852 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1614 -4.9978 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8665 3.2802 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7026 3.9758 -0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1893 3.9583 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6556 3.2629 1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1047 1.4992 -1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 1.6942 0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 -1.9243 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1484 0.0001 -2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 -1.6374 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 2.6962 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 3.3598 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3379 -0.4564 -0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 -2.0371 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9422 -1.7345 -2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3939 -1.1143 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6819 -0.2905 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0195 -2.2189 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 -5.0970 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2727 -4.6207 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2822 -6.0712 0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7727 3.8512 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 5.0487 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 3.5773 -0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0314 3.4326 0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3664 3.9313 -1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2092 5.0026 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6812 2.8500 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7132 4.2744 2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4151 2.6449 2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 44 1 0 0 0 0 3 17 2 0 0 0 0 4 21 2 0 0 0 0 5 8 1 0 0 0 0 5 30 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 7 23 1 0 0 0 0 8 25 2 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 16 36 1 0 0 0 0 18 24 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 45 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END > DB06721 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UIVFUQKYVFCEKJ-OPTOVBNMSA-N/SDF?record_type=3d > [H]\C(=N/OC(C)(C)C)C1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=CC=C12 > InChI=1S/C25H25N3O5/c1-5-25(31)18-10-20-21-16(12-28(20)22(29)17(18)13-32-23(25)30)15(11-26-33-24(2,3)4)14-8-6-7-9-19(14)27-21/h6-11,31H,5,12-13H2,1-4H3/b26-11+/t25-/m0/s1 > UIVFUQKYVFCEKJ-OPTOVBNMSA-N > C25H25N3O5 > 447.491 > 447.179420917 > 6 > 58 > 48.56854256988584 > 1 > 1 > 0 > 1 > (19S)-10-[(1E)-[(tert-butoxy)imino]methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione > 2.91 > 2.3741457390000003 > -4.02 > 0 > 5 > 0 > 11.710527326744604 > 3.0627579906334956 > 101.32000000000001 > 123.18609999999995 > 4 > 1 > 4.27e-02 g/l > (19S)-10-[(1E)-(tert-butoxyimino)methyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione > 0 $$$$