46783242 -OEChem-03312112243D 49 52 0 1 0 0 0 0 0999 V2000 -5.3851 1.4035 0.9396 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8558 1.6911 0.7291 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5176 1.8896 -0.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 0.6280 -1.8076 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 0.7656 0.7323 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 -0.3365 0.4049 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 0.2781 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3432 0.6184 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2788 -0.1048 -1.7888 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4060 -1.7092 0.1542 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9769 1.1213 0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 0.3974 -1.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0421 -1.2012 0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 0.7394 -1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5235 -0.8568 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4616 -1.5760 -1.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -0.2445 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 0.4694 0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 0.1639 0.5634 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9140 -1.7853 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 -1.0850 0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3699 -2.1584 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6358 0.8920 -0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3226 -0.0168 -2.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 -2.7586 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9468 1.0733 1.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 2.1847 0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1258 -0.1812 -1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 1.4423 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9926 -1.3174 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 -1.8732 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2981 1.7911 -1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 0.4163 -1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5079 -1.2177 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 -0.9571 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 -2.1930 -1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4224 -1.9516 -1.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 1.0077 1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3384 1.3143 1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4272 -0.7410 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 -0.9817 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3246 0.8507 1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -2.2422 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 -2.0684 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -1.3547 1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1642 -0.9747 0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 -2.0935 -1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6033 -3.1721 0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7626 2.3779 -1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 39 1 0 0 0 0 2 18 2 0 0 0 0 3 23 1 0 0 0 0 3 49 1 0 0 0 0 4 23 2 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 38 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 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 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 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 22 48 1 0 0 0 0 M END > DBMET03319 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KWZNLUFQUDQQJU-FBXIQOIYSA-N/SDF?record_type=3d > OC(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2 > InChI=1S/C17H26N2O4/c20-14(19-3-1-2-13(19)15(21)22)9-18-16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-13,18,23H,1-10H2,(H,21,22)/t11?,12?,13-,16?,17?/m0/s1 > KWZNLUFQUDQQJU-FBXIQOIYSA-N > C17H26N2O4 > 322.405 > 322.189257325 > 5 > 49 > 1.0017486703326965 > 34.0077024962036 > 1 > 3 > 0 > 0 > (2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}pyrrolidine-2-carboxylic acid > -1.41 > -2.747766442975635 > -1.92 > 0 > 0 > 4 > 0 > 14.705235007199951 > 3.372490198441363 > 9.036162644757546 > 89.87 > 83.01979999999999 > 4 > 1 > 3.90e+00 g/l > (2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}pyrrolidine-2-carboxylic acid > 0 $$$$