6526396 -OEChem-10051722203D 64 66 0 1 0 0 0 0 0999 V2000 -0.0123 2.9281 1.7704 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9156 -2.9959 0.8171 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1121 1.1001 -2.5023 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -0.2421 -0.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6795 3.1108 1.8956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 1.2337 -2.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0806 1.2025 -2.2575 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 -2.5608 -0.4344 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 2.5722 -0.4442 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 -4.2486 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -2.4465 -0.9953 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9535 2.1981 -0.5925 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 2.0408 -0.2977 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1672 1.2823 0.1038 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8542 -1.3060 1.0794 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1745 -3.3810 2.1666 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1634 3.2605 0.0027 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9905 2.7794 -0.9042 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0788 1.8641 -1.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 1.8226 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 2.2087 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7856 2.9989 2.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 1.9016 1.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 0.9253 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0221 1.3324 -1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0699 0.6565 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 -1.2646 -1.0220 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9884 2.8831 2.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8794 -0.7070 0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3893 -0.9725 -0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -1.4672 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 -2.5147 1.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3839 -3.0255 -0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0734 -4.8899 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4239 3.1813 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 -5.7475 1.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -5.7132 -1.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5368 4.2608 -0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 3.5605 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9387 2.6047 3.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 4.0480 2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 2.0413 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 1.3311 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 1.3041 2.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 -1.3084 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4510 3.8530 2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6003 2.3491 1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9386 2.3173 3.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6668 -0.9421 0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6595 -0.0066 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 -1.7571 -1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8715 -1.2197 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 -4.1431 0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2704 2.6084 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4914 3.2571 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4554 4.1882 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0875 -3.1364 2.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8276 -4.3064 2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 -5.1313 2.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -6.2485 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -6.5068 1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9509 -5.0771 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 -6.2323 -1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -6.4566 -1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 19 2 0 0 0 0 4 24 1 0 0 0 0 4 27 1 0 0 0 0 5 23 1 0 0 0 0 5 28 1 0 0 0 0 6 24 2 0 0 0 0 7 25 2 0 0 0 0 8 27 1 0 0 0 0 8 33 1 0 0 0 0 9 14 1 0 0 0 0 9 35 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 33 2 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 18 1 0 0 0 0 13 25 1 0 0 0 0 13 42 1 0 0 0 0 14 26 2 0 0 0 0 15 29 1 0 0 0 0 15 32 2 0 0 0 0 16 32 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 25 26 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 M END > DBSALT001354 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LTINZAODLRIQIX-FBXRGJNPSA-N/SDF?record_type=3d > [H]C(C)(OC(=O)OC(C)C)OC(=O)C1=C(COC)CS[C@@]2([H])N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1 > InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1 > LTINZAODLRIQIX-FBXRGJNPSA-N > C21H27N5O9S2 > 557.59 > 557.125019817 > 11 > 64 > 55.20868429967197 > 0 > 3 > 0 > 0 > (2Z)-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)-N-[(6R,7R)-3-(methoxymethyl)-8-oxo-2-[(1-{[(propan-2-yloxy)carbonyl]oxy}ethoxy)carbonyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]ethanimidic acid > 1.70 > 2.1706189743333337 > -3.73 > 1 > 3 > 0 > 9.143724898698007 > 3.7275983871560583 > 0.7235890753053077 > 181.42999999999995 > 144.67439999999996 > 13 > 0 > 1.03e-01 g/l > simplicef > 0 $$$$