445027 -OEChem-02252018123D 33 33 0 1 0 0 0 0 0999 V2000 4.3828 -2.2193 -0.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4313 0.3363 -0.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2968 -1.3999 0.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5008 -0.9898 0.0546 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5189 0.0123 0.0941 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 0.2974 0.6753 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5854 1.0608 0.4587 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9924 0.9476 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2665 0.1131 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 0.7594 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 2.1326 -0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 -1.1895 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7723 -0.0995 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 0.5375 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2953 -0.2991 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 0.0890 1.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 1.5057 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.9284 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.1191 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 -0.0509 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 -0.8752 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8162 -1.7360 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5224 0.1434 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.8967 -1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 1.7541 0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2712 1.7212 -1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 2.9455 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5621 2.5681 -0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 -0.2632 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6509 -1.0897 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0086 0.6848 -1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2044 1.5124 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2323 -0.1962 -0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 1 0 0 0 0 2 33 1 0 0 0 0 3 15 2 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 24 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 11 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 M END > DB03775 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AUTOLBMXDDTRRT-JGVFFNPUSA-N/SDF?record_type=3d > C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O > InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1 > AUTOLBMXDDTRRT-JGVFFNPUSA-N > C10H18N2O3 > 214.2615 > 214.131742452 > 3 > 33 > -0.9957068916193984 > 23.15226202416082 > 1 > 3 > 0 > 1 > 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid > 0.72 > 0.7256986656666673 > -2.23 > 0 > -1 > 1 > -1 > 13.825802330845216 > 4.634655499494166 > -1.76812975512201 > 78.43 > 54.398 > 6 > 1 > 1.27e+00 g/l > mesoxalic acid > 0 $$$$