656580 -OEChem-11041807183D 43 43 0 1 0 0 0 0 0999 V2000 -2.7681 -5.7374 -0.5996 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5362 -3.7636 0.6288 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 -2.4201 -1.8766 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4022 0.4596 0.1639 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 -3.7586 1.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 1.7698 2.0413 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8915 2.3796 -0.0602 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3955 0.6389 1.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3111 5.7452 0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0445 4.2839 -1.6141 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -2.3936 -0.4107 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6213 1.2426 0.3972 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1670 -1.6574 0.0720 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7258 -1.2532 -1.1208 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6395 -0.4781 0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0245 -0.5918 -0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.6626 -1.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8829 -1.2536 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -3.3946 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 1.2734 -0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0806 -0.6427 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 0.6207 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8643 1.5456 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 2.4282 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0999 -4.0120 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1366 3.7172 0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8612 4.5894 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 -2.3459 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1564 -0.6041 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2228 0.0370 1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -0.8478 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7289 -2.1114 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 1.1807 -1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6561 -2.2428 0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 -2.1582 -2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7434 2.2582 -1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 -1.1820 1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5005 1.8509 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 2.6686 -0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2835 -3.5666 -1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2874 4.2828 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8218 3.4855 1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7889 6.2989 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 14 1 0 0 0 0 3 35 1 0 0 0 0 4 15 1 0 0 0 0 4 23 1 0 0 0 0 5 19 2 0 0 0 0 6 23 2 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 9 27 1 0 0 0 0 9 43 1 0 0 0 0 10 27 2 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 32 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 21 2 0 0 0 0 18 34 1 0 0 0 0 19 25 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 2 7 -1 12 1 M END > DB07565 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LIRCDOVJWUGTMW-ZWNOBZJWSA-N/SDF?record_type=3d > O[C@@H]([C@@H](COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl)C1=CC=C(C=C1)[N+]([O-])=O > InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1 > LIRCDOVJWUGTMW-ZWNOBZJWSA-N > C15H16Cl2N2O8 > 423.202 > 422.028370912 > 7 > 43 > 37.74159066911349 > 1 > 3 > 0 > 1 > 4-[(2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid > 1.34 > 1.1446916453333338 > -3.58 > 0 > 1 > -1 > 8.872170990423275 > 3.646391221962107 > -3.4207816143518306 > 156.07 > 92.24130000000001 > 11 > 1 > 1.12e-01 g/l > chloramphenicol succinate > 0 $$$$