9815453 -OEChem-05201910363D 23 23 0 1 0 0 0 0 0999 V2000 0.1673 -2.7365 -0.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7613 2.2999 -0.5211 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8364 0.3890 -0.7349 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7291 1.1466 1.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0597 0.7571 -0.3717 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8438 -1.1655 -0.0311 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -0.4351 0.2902 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2523 0.1390 0.4685 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5165 -1.5664 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -0.7521 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3748 1.1716 -0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7307 0.3880 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 0.3644 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4135 -0.2563 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0415 0.1714 1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 1.4201 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8782 -0.9202 -1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2379 -1.6627 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5524 -1.8792 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 0.3764 -0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0386 1.3614 0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3432 -0.3835 0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4772 1.1077 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 11 2 0 0 0 0 3 13 1 0 0 0 0 3 23 1 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > DB14940 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RVLCUCVJZVRNDC-IMJSIDKUSA-N/SDF?record_type=3d > C[C@@H]1NC(=O)[C@H](CC(O)=O)NC1=O > InChI=1S/C7H10N2O4/c1-3-6(12)9-4(2-5(10)11)7(13)8-3/h3-4H,2H2,1H3,(H,8,13)(H,9,12)(H,10,11)/t3-,4-/m0/s1 > RVLCUCVJZVRNDC-IMJSIDKUSA-N > C7H10N2O4 > 186.167 > 186.06405681 > 4 > 23 > 16.871433376337254 > 1 > 3 > 0 > 0 > 2-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]acetic acid > -1.37 > -1.7148499046666665 > -1.31 > 0 > 1 > -1 > 10.662052100232026 > 4.022152339228724 > -4.533666109222686 > 95.5 > 40.6302 > 2 > 1 > 9.14e+00 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$