36690559 -OEChem-10051720223D 20 19 0 1 0 0 0 0 0999 V2000 1.7584 0.4848 -1.1250 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -0.1463 -0.2800 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 0.6215 1.2659 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 -1.3985 0.4903 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5508 -0.7613 1.0376 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3495 -1.6130 -0.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3366 1.7177 0.7652 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3405 0.7329 -0.3622 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9764 0.8259 -1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 0.3519 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7844 -0.6854 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 -0.1302 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1048 1.1093 -1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0147 0.2303 -1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8077 1.8648 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0598 -0.6902 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2848 0.9651 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0485 2.6553 0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 1.4301 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2766 1.8092 1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M CHG 2 5 -1 7 1 M END > DB03799 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YLJLTSVBCXYTQK-VKHMYHEASA-N/SDF?record_type=3d > N[C@@H](CCSC(F)(F)F)C(O)=O > InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1 > YLJLTSVBCXYTQK-VKHMYHEASA-N > C5H8F3NO2S > 203.183 > 203.02278381 > 3 > 20 > -0.0031328052388659433 > 15.854407871829752 > 1 > 2 > 0 > 0 > (2S)-2-amino-4-[(trifluoromethyl)sulfanyl]butanoic acid > -1.93 > -0.8494105879086722 > -1.20 > 0 > 0 > 0 > 0 > 1.5931905190628095 > 9.502159742294687 > 63.32 > 37.812599999999996 > 5 > 1 > 1.28e+01 g/l > biotin > 0 $$$$