6437877 -OEChem-10051722203D 69 72 0 1 0 0 0 0 0999 V2000 0.6845 -3.2756 1.4007 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2975 -2.7887 -0.3791 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1133 2.4150 1.9651 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 0.0508 -1.7587 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -0.0306 -1.0109 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 0.4266 1.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.2925 -2.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8755 2.2587 -0.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2944 -2.3534 -1.7328 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 4.0056 -1.9849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 -1.6479 -0.2239 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3946 -1.7669 -0.6505 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5556 -1.3708 -0.7677 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8123 0.6602 1.1186 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3308 -0.5704 -1.2122 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6348 2.1440 2.7655 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 -2.8955 -0.2657 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0950 -2.1622 -1.1909 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0484 -1.0122 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -1.4160 0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 -3.3753 2.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 -2.2197 1.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -0.2344 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -2.0794 2.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -0.8727 -1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5161 -0.6238 -0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2722 -1.7745 2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6505 1.3343 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 4.4258 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5946 -1.5576 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6246 0.4510 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9259 3.5700 -1.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 5.8955 -0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5325 4.2963 1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4088 3.9392 -0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1431 -0.4579 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5897 1.3029 0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5429 0.8091 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6593 1.6704 1.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9205 -1.7572 -1.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -3.1199 -1.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4527 -3.7035 -0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 -2.6428 -2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 -4.3242 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8846 -3.4073 3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7116 -2.1592 0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -2.2238 3.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0646 -1.6301 2.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7057 1.6199 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3005 1.3730 -2.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 6.5384 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8006 6.0293 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1752 6.2590 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 4.9444 1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 3.2690 1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5896 4.5735 1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0722 4.5652 0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 3.9656 -1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5117 2.9068 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 1.3345 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0309 1.6749 0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6159 0.9668 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3911 0.8092 1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9686 -2.0724 -2.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2923 -2.4833 -2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7575 -3.6093 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2785 -3.8886 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5624 1.7331 2.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4746 2.9277 3.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 30 1 0 0 0 0 2 40 1 0 0 0 0 3 37 1 0 0 0 0 3 39 1 0 0 0 0 4 19 2 0 0 0 0 5 23 1 0 0 0 0 5 28 1 0 0 0 0 6 23 2 0 0 0 0 7 25 2 0 0 0 0 8 28 1 0 0 0 0 8 32 1 0 0 0 0 9 13 1 0 0 0 0 9 41 1 0 0 0 0 10 32 2 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 18 1 0 0 0 0 12 25 1 0 0 0 0 12 46 1 0 0 0 0 13 26 2 0 0 0 0 14 31 1 0 0 0 0 14 39 2 0 0 0 0 15 36 1 0 0 0 0 15 40 2 0 0 0 0 16 39 1 0 0 0 0 16 68 1 0 0 0 0 16 69 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 24 27 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 31 1 0 0 0 0 27 30 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 30 36 2 0 0 0 0 31 37 2 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 38 1 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 40 64 1 0 0 0 0 41 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 M END > DBSALT001811 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AFZFFLVORLEPPO-UVYJNCLZSA-N/SDF?record_type=3d > [H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(=O)OCOC(=O)C(C)(C)C > InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1 > AFZFFLVORLEPPO-UVYJNCLZSA-N > C25H28N6O7S3 > 620.71 > 620.118160788 > 9 > 69 > 62.65017126415435 > 0 > 2 > 0 > 0 > [(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy]methyl 2,2-dimethylpropanoate > 2.90 > 2.8161484926666667 > -4.67 > 1 > 4 > 0 > 11.37942700478433 > 10.819917935920103 > 4.122557982177317 > 175.40000000000003 > 152.90450000000004 > 12 > 0 > 1.34e-02 g/l > spectracef > 0 $$$$