10062714 -OEChem-10051721053D 50 51 0 1 0 0 0 0 0999 V2000 -0.3414 -0.7134 -0.3219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5959 -0.2033 1.7119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 4.0033 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 0.7811 -0.2548 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2342 -1.6201 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 -2.4119 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4362 -2.7057 1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9788 -3.4568 -1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0261 -3.6334 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1535 -0.8344 1.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9222 0.2255 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -0.0585 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3902 1.5078 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1659 -0.0755 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3684 1.6173 0.3046 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7263 1.3044 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1017 2.4893 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8774 0.9059 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1866 -0.1309 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3452 2.1883 -0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5586 -0.4009 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 3.0372 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -1.8154 -0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3176 -1.7997 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -2.9259 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 -3.2727 1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4245 -2.4079 1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4752 -4.3991 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4611 -3.1076 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 -3.3480 -0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0784 -4.6733 0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6408 -0.3638 2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8707 -1.5178 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4368 1.7721 0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5968 -1.0679 0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 0.8268 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 1.4789 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 1.4709 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4757 2.0048 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2317 -0.2983 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4627 -0.8459 -0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6899 3.4893 -0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8464 0.6722 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 2.9529 -1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2923 0.3119 -0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5126 -0.2530 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 3.1981 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3371 -2.5549 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1215 -1.9847 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0151 -1.9869 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 22 2 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 14 18 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 20 2 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 M END > DB07593 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ONABDOMWRCXLPX-KRWDZBQOSA-N/SDF?record_type=3d > [H][C@@](CCCC)(NC(=O)OC1(CC2=CC=CC=C2)CCCC1)C=O > InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1 > ONABDOMWRCXLPX-KRWDZBQOSA-N > C19H27NO3 > 317.4226 > 317.199093735 > 2 > 50 > -1.0016726329146694e-07 > 35.975138174316356 > 1 > 1 > 0 > 1 > 1-benzylcyclopentyl N-[(2S)-1-oxohexan-2-yl]carbamate > 3.84 > 4.404074799666666 > -4.77 > 0 > 0 > 2 > 0 > 17.032216921168693 > 13.99967690498794 > -7.3483871255330575 > 55.4 > 90.0357 > 9 > 1 > 5.34e-03 g/l > tetrahydrofolic acid > 0 $$$$