6335986 -OEChem-10051719353D 45 47 0 1 0 0 0 0 0999 V2000 -1.3230 0.8122 -2.0550 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 -3.3478 0.4310 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 0.6863 2.5585 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 -0.3060 -1.5973 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4436 -0.0340 2.2047 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0468 -1.8312 1.9831 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 1.5308 1.8634 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8078 2.6599 -0.5742 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 0.7575 0.5235 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 1.3144 -0.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1395 1.2998 -0.6469 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -1.4199 -0.6441 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 -3.5842 -1.0033 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 1.7012 -0.4953 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2577 1.9024 0.3553 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9878 1.0407 1.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0261 -0.0646 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -0.2776 -0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0709 0.2915 -2.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -1.1099 -1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4828 -0.7630 1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1135 1.1942 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 0.5604 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 -0.8919 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0618 -1.0402 -1.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6436 -1.7477 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 -2.7247 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 3.3914 -1.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 2.5877 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 2.9421 0.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6806 1.1478 -2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -0.4659 -2.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0691 0.9788 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6155 -1.9456 -1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2254 -1.5381 -0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7789 -0.4652 3.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7964 -0.3670 -2.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4639 -1.4156 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8785 -1.8700 -2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7453 -1.5502 1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2364 -3.2577 -1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3822 -4.5864 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 3.0835 -2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 4.4536 -1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7759 3.2435 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 16 2 0 0 0 0 4 20 1 0 0 0 0 4 25 1 0 0 0 0 5 21 1 0 0 0 0 5 36 1 0 0 0 0 6 21 2 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 10 33 1 0 0 0 0 11 23 2 0 0 0 0 12 24 1 0 0 0 0 12 27 2 0 0 0 0 13 27 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 26 2 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END > DB01416 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WYUSVOMTXWRGEK-HBWVYFAYSA-N/SDF?record_type=3d > [H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O > InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1 > WYUSVOMTXWRGEK-HBWVYFAYSA-N > C15H17N5O6S2 > 427.455 > 427.062024681 > 9 > 45 > -0.9997245100350028 > 39.90027808425812 > 1 > 3 > 0 > 0 > (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 0.05 > -1.2742580310875333 > -3.36 > 1 > -1 > 3 > -1 > 11.085544807648334 > 2.750604325284891 > 3.606603116667934 > 156.44000000000003 > 100.708 > 7 > 1 > 1.85e-01 g/l > biotin > 0 $$$$