449346 -OEChem-12271909023D 26 25 0 1 0 0 0 0 0999 V2000 -1.4491 1.8678 0.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 -0.7078 1.4249 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1852 1.9661 0.6826 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -0.6182 -1.4986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4556 -0.9286 0.6976 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5845 0.2417 -0.8197 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7057 0.8870 -0.3689 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1499 -0.5207 0.0404 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0255 0.2455 -0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 1.1121 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5337 -0.6867 0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -2.1391 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -0.7190 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 1.0452 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 -1.3013 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 1.2673 -0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4198 -0.0572 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 -0.6131 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1423 -0.3697 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1606 -0.4164 -1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5131 -2.4890 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5809 -2.7764 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0601 -2.2740 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 2.7362 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0767 -1.6373 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9365 -0.7379 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 24 1 0 0 0 0 2 8 1 0 0 0 0 2 25 1 0 0 0 0 3 10 2 0 0 0 0 4 13 1 0 0 0 0 4 26 1 0 0 0 0 5 13 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M END > DB03390 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LNEZKQHJUNIZIS-RFZPGFLSSA-N/SDF?record_type=3d > [H]N(CCC)C(=O)[C@H](O)[C@@H](O)C(O)=O > InChI=1S/C7H13NO5/c1-2-3-8-6(11)4(9)5(10)7(12)13/h4-5,9-10H,2-3H2,1H3,(H,8,11)(H,12,13)/t4-,5-/m1/s1 > LNEZKQHJUNIZIS-RFZPGFLSSA-N > C7H13NO5 > 191.1818 > 191.079372531 > 5 > 26 > -0.9995183892148739 > 18.104131074686904 > 1 > 4 > 0 > 0 > (2R,3R)-2,3-dihydroxy-3-(propylcarbamoyl)propanoic acid > -1.532736087 > 0 > -1 > 0 > -1 > 12.174271319673064 > 3.6890182975738908 > -4.131880394212965 > 106.86000000000001 > 42.2049 > 5 > 1 > N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl]cyclopentanecarboxamide > 0 $$$$