3009 -OEChem-10051722023D 24 23 0 1 0 0 0 0 0999 V2000 2.0114 -1.2315 -1.2473 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9712 -0.4860 0.5582 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7462 1.1225 -1.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 2.2206 0.3547 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 -0.0025 1.8431 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 0.1073 0.0136 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 -0.2196 0.3897 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7100 -0.8614 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9731 -0.0441 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 -1.0867 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 -0.6829 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 1.1643 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8121 -1.8522 0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6701 -1.0380 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8821 0.9627 -0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0759 0.0755 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7755 -2.0828 0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3764 -1.6854 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1852 -0.7971 -1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 0.6793 2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 0.3915 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5402 0.2010 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2742 -0.3883 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 2.0174 -2.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 10 1 0 0 0 0 3 12 1 0 0 0 0 3 24 1 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END > DB06243 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VLCYCQAOQCDTCN-UHFFFAOYSA-N/SDF?record_type=3d > NCCCC(N)(C(F)F)C(O)=O > InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12) > VLCYCQAOQCDTCN-UHFFFAOYSA-N > C6H12F2N2O2 > 182.171 > 182.08668396 > 4 > 24 > 15.798819149867942 > 1 > 3 > 0 > 0 > 2,5-diamino-2-(difluoromethyl)pentanoic acid > -2.05 > -2.908437200546133 > -0.56 > 0 > 0 > 1 > 2.190272271177595 > 10.204405323783407 > 89.34 > 37.7336 > 5 > 1 > 5.00e+01 g/l > vaniqa > 0 $$$$