131704251 -OEChem-12201913063D 56 56 0 1 0 0 0 0 0999 V2000 -5.5709 1.6195 2.7018 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 2.0435 0.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 0.3974 -0.5393 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 0.7065 -2.5944 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6885 0.9064 0.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 0.6845 -0.6392 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 2.1165 -0.8059 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5431 -3.4187 0.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6757 -4.4107 -0.2939 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0807 -5.6329 0.9598 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1369 -0.4176 -1.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 0.8996 -1.2187 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4764 -1.3207 -0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2097 -2.5816 -0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 1.7324 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4557 2.9411 -0.1006 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2481 -4.6451 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2951 3.7744 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0153 0.6058 -1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3368 2.0143 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8067 2.5391 2.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3575 0.2953 -1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 0.0691 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0409 1.1576 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7429 -1.2300 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0148 0.9471 1.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7166 -1.4406 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3526 -0.3521 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4837 -0.9719 -2.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -0.2077 -2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 1.4968 -2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1063 -0.7763 0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5561 -1.5998 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5673 -3.1369 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1178 -2.2917 -1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 0.5678 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 3.5958 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7521 1.7941 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1043 -2.9000 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8216 -5.0724 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8707 3.1403 -1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0074 4.3994 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6611 4.4288 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9437 2.7629 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4119 3.4364 1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1280 -5.2898 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8153 -3.7869 -1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 -5.7762 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4611 -5.2538 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5712 1.2172 -1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3525 -0.5370 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 2.1744 0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 -2.0861 -0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5097 1.7946 1.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9793 -2.4520 1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1107 -0.5161 2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 15 2 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 6 36 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 38 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 39 1 0 0 0 0 9 17 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 17 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 20 21 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > DB03536 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FAAPWXRBXXSQNJ-JSGCOSHPSA-N/SDF?record_type=3d > C[C@H](NC(=O)[C@H](CCCNC(N)N)NC(=O)OCC1=CC=CC=C1)C(=O)CF > InChI=1S/C18H28FN5O4/c1-12(15(25)10-19)23-16(26)14(8-5-9-22-17(20)21)24-18(27)28-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,17,22H,5,8-11,20-21H2,1H3,(H,23,26)(H,24,27)/t12-,14-/m0/s1 > FAAPWXRBXXSQNJ-JSGCOSHPSA-N > C18H28FN5O4 > 397.4444 > 397.212532614 > 6 > 56 > 0.33695350857938006 > 41.2364261606961 > 1 > 5 > 0 > 1 > benzyl N-[(1S)-4-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]carbamoyl}butyl]carbamate > -0.39 > 0.4258363823333322 > -3.15 > 0 > 1 > 1 > 0 > 13.84155952062197 > 12.730424750018573 > 6.71129635090325 > 148.57 > 100.6602 > 13 > 1 > 2.80e-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 $$$$