6274 -OEChem-11281915423D 20 20 0 1 0 0 0 0 0999 V2000 -1.0689 -1.6919 -0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4946 -1.1223 0.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 0.1409 1.1624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 1.3693 -0.2178 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 -0.3365 -0.6825 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 1.3004 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 0.6397 -0.4567 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9671 0.6020 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7498 -0.7917 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 0.3150 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8043 -0.4249 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 1.3196 1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 2.3450 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3124 0.6416 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 0.1943 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 0.5299 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6419 2.3346 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9358 1.4198 0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 -0.8810 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -2.6142 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 10 16 1 0 0 0 0 11 19 1 0 0 0 0 M END > DB00117 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HNDVDQJCIGZPNO-YFKPBYRVSA-N/SDF?record_type=3d > N[C@@H](CC1=CNC=N1)C(O)=O > InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 > HNDVDQJCIGZPNO-YFKPBYRVSA-N > C6H9N3O2 > 155.1546 > 155.069476547 > 4 > 20 > 14.670259477862192 > 1 > 3 > 0 > 0 > (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid > -2.67 > -3.6160224799542067 > -0.34 > 0 > 1 > 0 > 12.941172308417476 > 1.8499726767043654 > 9.437137464922305 > 92.0 > 38.059 > 3 > 1 > 7.13e+01 g/l > 2,4-dichlorobenzyl alcohol > 0 $$$$