5288990 -OEChem-10051720413D 35 36 0 1 0 0 0 0 0999 V2000 -0.5703 -0.4325 -2.1013 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 -1.9471 1.0901 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8971 3.6553 -0.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3092 2.5701 -0.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 -2.2206 1.6984 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8534 -0.8942 1.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 1.1323 0.3436 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1871 0.2560 0.1402 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4506 0.7643 -1.0271 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4238 1.7701 -0.5087 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6805 -1.8626 -1.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 -1.4674 -1.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9328 -0.7692 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0788 2.8692 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 1.5895 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6687 0.7641 1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7342 -1.2926 1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 -0.3280 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 -0.1924 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7224 -1.4621 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 -2.5023 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1617 1.3017 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 2.2615 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 -2.5598 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7598 -2.3673 -2.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6776 -2.3637 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.8046 -2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2287 0.3466 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8038 2.9407 1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0281 0.3769 2.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4067 1.4224 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6228 0.7569 -0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4439 -1.6053 -1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 -3.5617 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5068 -2.6015 2.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 17 1 0 0 0 0 5 35 1 0 0 0 0 6 17 2 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 17 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 M END > DB04742 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QIZKCGBBVPUBJL-ZYHUDNBSSA-N/SDF?record_type=3d > [H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@@]1([H])SCCC(=N1)C(O)=O > InChI=1S/C13H14N2O4S2/c16-7-10(12-15-9(13(18)19)3-5-21-12)14-11(17)6-8-2-1-4-20-8/h1-2,4,7,10,12H,3,5-6H2,(H,14,17)(H,18,19)/t10-,12-/m1/s1 > QIZKCGBBVPUBJL-ZYHUDNBSSA-N > C13H14N2O4S2 > 326.391 > 326.039498326 > 5 > 35 > -0.9996393908625916 > 30.727558774223745 > 1 > 2 > 0 > 1 > (2R)-2-[(1R)-2-oxo-1-[2-(thiophen-2-yl)acetamido]ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid > 0.93 > 1.4270764303333328 > -3.77 > 0 > -1 > 2 > -1 > 11.993648210095495 > 3.569257042202541 > -1.4921506574660879 > 95.82999999999998 > 78.9442 > 6 > 1 > 5.51e-02 g/l > tetrahydrofolic acid > 0 $$$$