445501 -OEChem-10051719453D 54 55 0 1 0 0 0 0 0999 V2000 -0.6937 -2.8187 -0.1668 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8096 0.7335 -0.8892 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 -2.0490 1.4883 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9553 1.2386 -1.0984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -1.0109 -0.4483 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1152 2.2636 -0.4333 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 -2.1296 -0.8059 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3963 -3.3158 -0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -2.9753 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6503 -1.4633 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7642 2.3579 0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9158 0.3026 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4765 -2.3157 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 1.3096 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 3.2308 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0114 3.2578 0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 1.6452 2.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5663 4.0130 -0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 -3.0472 0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5603 -1.7869 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2325 -1.4188 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0323 -0.1467 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3727 -0.1743 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4554 1.0869 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 1.0156 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4162 2.1971 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9107 -1.8962 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9318 -4.2788 -0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7906 -3.3609 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4653 -3.4906 -0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 -3.2523 1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3296 -1.2020 -0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 -0.9887 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 3.9576 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6023 2.6310 0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2468 3.7068 -0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 2.6828 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 4.0683 1.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4882 0.9986 2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 1.0141 2.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5497 2.3684 2.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3598 4.7655 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 4.5434 -1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7148 3.3555 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2963 -3.3482 1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3287 -3.8828 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9276 -0.9535 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 -1.9416 1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 -1.2942 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8894 -2.2339 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8709 -1.1161 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 1.1732 -0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1305 1.0181 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9268 3.1523 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 24 1 0 0 0 0 6 26 2 0 0 0 0 7 8 1 0 0 0 0 7 13 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 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 M END > DB01951 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OQAHHWOPVDDWHD-INIZCTEOSA-N/SDF?record_type=3d > [H][C@]1(CCCN1C(=O)C(=O)C(C)(C)CC)C(=O)OCCCC1=CN=CC=C1 > InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1 > OQAHHWOPVDDWHD-INIZCTEOSA-N > C20H28N2O4 > 360.4473 > 360.204907394 > 4 > 54 > 0.008525455239780478 > 39.4479422175513 > 1 > 0 > 0 > 1 > 3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate > 2.29 > 3.4320502423333337 > -3.04 > 0 > 0 > 2 > 0 > 4.934436009839176 > 76.57000000000001 > 97.86039999999998 > 9 > 1 > 3.32e-01 g/l > biotin > 0 $$$$