5288206 -OEChem-10051720033D 28 29 0 1 0 0 0 0 0999 V2000 -0.4557 -0.7158 2.1325 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2665 -3.0769 -0.4239 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3863 1.0895 -1.4865 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9813 1.5630 0.6704 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 1.9327 -0.5086 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0367 -0.9837 -0.7155 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6043 0.6170 1.1737 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0928 1.7030 0.5846 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 -1.0461 0.8269 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5514 0.1851 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2347 -1.8777 -0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 1.0023 -0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 -1.8234 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2341 0.0230 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6352 0.2830 1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1392 -2.9071 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6328 3.0510 -1.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3026 0.9811 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -1.6747 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 1.0115 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2048 -2.4986 -1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 -1.0663 -1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 1.1424 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7483 -3.5232 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.9385 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 3.0639 -2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5433 3.9694 -0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 1.7183 -1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 16 2 0 0 0 0 3 18 1 0 0 0 0 3 28 1 0 0 0 0 4 18 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 M END > DB02816 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BCPHJDLBOJMWOD-VIFPVBQESA-N/SDF?record_type=3d > [H][C@@]1(SC=C(NC=C1C=O)C(O)=O)C1=CN(C)N=N1 > InChI=1S/C10H10N4O3S/c1-14-3-7(12-13-14)9-6(4-15)2-11-8(5-18-9)10(16)17/h2-5,9,11H,1H3,(H,16,17)/t9-/m0/s1 > BCPHJDLBOJMWOD-VIFPVBQESA-N > C10H10N4O3S > 266.276 > 266.047360896 > 6 > 28 > -1.013722679189981 > 24.724553089220514 > 1 > 2 > 0 > 0 > (7S)-6-formyl-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid > -0.10 > -0.797800233333333 > -2.13 > 0 > -1 > 2 > -1 > 8.856355542206975 > 5.140965373893893 > 0.03359694279359287 > 97.11 > 77.73659999999998 > 3 > 1 > 1.99e+00 g/l > tetrahydrofolic acid > 0 $$$$