86289080 -OEChem-10051720113D 45 45 0 1 0 0 0 0 0999 V2000 -4.3292 -0.9541 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 1.7099 1.2443 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2042 2.1638 -0.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6632 1.5741 -0.0799 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3198 -1.0964 1.0123 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8512 -1.4438 -1.6888 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1965 -2.3450 -0.4407 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2869 0.7060 -0.7121 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1817 0.1658 -0.0148 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7433 -0.1640 1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5907 1.8819 1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4827 2.5508 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4395 1.8193 -1.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 -1.5394 1.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 -0.7863 -0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1264 -1.6818 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -1.4061 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 -0.9418 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8175 0.4219 -0.6725 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4909 -2.1771 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 1.5424 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3107 0.1225 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6045 -0.1852 2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 0.5823 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8198 1.4956 -2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 2.4488 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3943 1.2879 -1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6377 2.8932 -1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 1.9470 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0416 2.8634 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3832 1.1351 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 2.3331 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8776 3.5680 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 -1.6829 2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7972 -2.3358 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 -0.5355 1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -1.6979 -0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 -0.8922 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 -1.2999 -2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4709 -2.1087 -2.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5075 0.3531 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 -2.6201 -1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4805 1.5928 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6838 0.7777 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8008 -0.0329 -1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 21 1 0 0 0 0 3 21 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 36 1 0 0 0 0 6 15 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 16 2 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 26 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 25 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M CHG 3 2 -1 4 1 8 1 M END > DB03223 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FOOBQHKMWYGHCE-UWVGGRQHSA-O/SDF?record_type=3d > C[N+](C)(C)[C@@H](CCC1=NC(C[C@H](N)C(O)=O)=CN1)C(N)=O > InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10-/m0/s1 > FOOBQHKMWYGHCE-UWVGGRQHSA-O > C13H24N5O3 > 298.366 > 298.187366073 > 5 > 45 > 31.820433436124638 > 1 > 4 > 1 > 0 > [(1S)-3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carbamoylpropyl]trimethylazanium > -1.55 > -7.1857806944836655 > -3.43 > 0 > 1 > 1 > 12.673971591429627 > 1.4995813171183578 > 9.248883359529112 > 135.09 > 88.38309999999997 > 8 > 1 > 1.24e-01 g/l > [(1S)-3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carbamoylpropyl]trimethylazanium > 0 $$$$