5289518 -OEChem-10051720423D 32 32 0 1 0 0 0 0 0999 V2000 2.3167 1.3772 -0.7912 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9529 2.7307 0.5109 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 0.1784 -1.8305 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 -1.8878 -1.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1252 2.5355 -0.5102 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 -0.7564 1.2382 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 -1.2223 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 0.1719 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 0.6312 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8641 -0.0752 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -2.1807 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0781 -1.5715 1.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 -1.2747 -0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 -0.0331 0.5046 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0299 2.0769 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0812 -0.7002 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 -1.1102 1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9907 0.4228 2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6459 -1.8239 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 -3.1574 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 -2.3894 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 -1.6825 2.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6787 -0.8199 2.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6027 -2.5290 1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0446 -0.6260 -0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2395 -1.0769 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7034 -2.2905 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5657 0.9820 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2174 3.4915 -0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3517 -0.3289 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9184 -1.7126 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6373 -0.2586 -2.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 15 2 0 0 0 0 3 16 1 0 0 0 0 3 32 1 0 0 0 0 4 16 2 0 0 0 0 5 15 1 0 0 0 0 5 29 1 0 0 0 0 6 14 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 M END > DB04798 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FHWOAQCPEFTDOQ-LURJTMIESA-N/SDF?record_type=3d > [H][C@]([NH3+])(CC1=C(SN=C1[O-])C(C)(C)C)C(O)=O > InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1 > FHWOAQCPEFTDOQ-LURJTMIESA-N > C10H16N2O3S > 244.311 > 244.088163078 > 4 > 32 > -1.010713027396318 > 24.633452613784407 > 1 > 2 > 0 > 1 > 4-[(2S)-2-azaniumyl-2-carboxyethyl]-5-tert-butyl-1,2-thiazol-3-olate > -0.01 > -0.2529898759638415 > -3.88 > 0 > -1 > 1 > -1 > 4.464049429310158 > 2.2894064167550936 > 7.430036997518588 > 100.89 > 83.6448 > 4 > 1 > 3.94e-02 g/l > tetrahydrofolic acid > 0 $$$$