9600418 -OEChem-12201913473D 45 46 0 1 0 0 0 0 0999 V2000 3.6350 1.7170 -0.3786 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7658 -3.4168 0.3134 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2244 -2.6713 0.9897 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 -2.9698 -0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2148 3.7860 -0.6182 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 1.2370 2.0485 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 2.6830 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0316 -0.3945 -0.7227 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3724 1.1686 -0.1034 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5473 1.3541 -0.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1315 -1.3289 -0.3638 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1832 -3.4024 -0.7948 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3457 0.0529 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0853 -0.7664 0.2258 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9760 1.0706 -0.7730 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9496 1.6371 0.2035 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0629 -0.3705 -1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3278 0.0895 1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2959 -2.2427 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 3.1452 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 1.0185 0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 0.5144 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9428 -0.9208 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 -1.8755 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -2.6432 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 3.5287 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 -0.5784 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 1.3830 -1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2889 -0.7331 -1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 1.3535 1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3982 -0.3935 -2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -1.3711 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8909 0.3097 -1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 0.8424 0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8453 -0.8656 1.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8279 0.3292 2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6019 0.9861 -1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 3.6633 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 -3.6378 0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0887 -1.7788 1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0203 -2.9854 -1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1578 -4.4161 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8318 4.5672 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0775 3.3814 0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3265 3.3311 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 19 1 0 0 0 0 3 39 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 29 1 0 0 0 0 9 16 1 0 0 0 0 9 21 1 0 0 0 0 9 37 1 0 0 0 0 10 22 2 0 0 0 0 11 23 1 0 0 0 0 11 25 2 0 0 0 0 12 25 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 40 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END > DB03437 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YVNKGXXVZIQNIV-RKMXGKDGSA-N/SDF?record_type=3d > [H]N([H])C1=NC(=CS1)C(=N\OC)\C(=O)N([H])[C@H](C=O)[C@@]1([H])SC(C)(C)[C@@H](N1[H])C(O)=O > InChI=1S/C14H19N5O5S2/c1-14(2)9(12(22)23)18-11(26-14)6(4-20)16-10(21)8(19-24-3)7-5-25-13(15)17-7/h4-6,9,11,18H,1-3H3,(H2,15,17)(H,16,21)(H,22,23)/b19-8-/t6-,9+,11-/m1/s1 > YVNKGXXVZIQNIV-RKMXGKDGSA-N > C14H19N5O5S2 > 401.461 > 401.082760123 > 9 > 45 > -0.15467976564889108 > 38.87574090906214 > 1 > 4 > 0 > 0 > (2R,4S)-2-[(1R)-1-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid > -0.07 > -2.218989283005386 > -3.46 > 0 > 0 > 2 > 0 > 11.363621800951647 > 0.781310167374653 > 7.737139847197627 > 156.00000000000003 > 94.8844 > 7 > 1 > 1.38e-01 g/l > N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-[2-(thiophen-2-yl)acetamido]-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzamide > 0 $$$$