445856 -OEChem-10051719453D 26 25 0 1 0 0 0 0 0999 V2000 -1.4295 -1.1469 -0.9361 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -1.9123 0.6560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 0.5769 0.5451 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3699 0.4142 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3016 -0.4939 0.6373 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7345 0.2651 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5527 -0.0300 -1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 1.9061 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 -0.4100 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2236 0.8309 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 -0.1806 1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6483 0.4881 1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 -0.7418 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 0.9569 0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2955 0.6034 -2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 0.0601 -2.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9135 -1.0595 -1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7831 2.5265 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 2.2552 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0853 2.0949 -0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5608 -2.0426 1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 -2.2669 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 1.1680 1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 1.4578 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 1.3540 0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7238 -0.1102 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 5 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 M END > DB01949 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BPKJNEIOHOEWLO-RXMQYKEDSA-N/SDF?record_type=3d > CNC(=O)[C@@H](N)C(C)(C)C > InChI=1S/C7H16N2O/c1-7(2,3)5(8)6(10)9-4/h5H,8H2,1-4H3,(H,9,10)/t5-/m1/s1 > BPKJNEIOHOEWLO-RXMQYKEDSA-N > C7H16N2O > 144.2147 > 144.126263144 > 2 > 26 > 0.945068333337645 > 16.487237707057034 > 1 > 2 > 0 > 0 > (2S)-2-amino-N,3,3-trimethylbutanamide > 0.04 > 0.10351820866666686 > -0.29 > 0 > 1 > 0 > 1 > 16.28001431151293 > 8.235640338124016 > 55.120000000000005 > 40.609899999999996 > 2 > 1 > 7.33e+01 g/l > tetrahydrofolic acid > 0 $$$$