59857949 -OEChem-04192420042D 54 57 0 1 0 0 0 0 0999 V2000 8.0622 -0.8240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8963 -1.3196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6421 1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8694 0.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0870 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6421 -1.0367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0534 -2.4538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6410 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2704 0.4227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9365 -0.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9365 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6086 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 -1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2807 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0566 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6395 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8262 -3.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1465 -1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6975 -0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4804 -1.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0228 -2.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2276 -3.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6645 -4.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4247 -3.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8826 0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0494 1.0020 0.0000 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 24 1 0 0 0 0 2 27 1 0 0 0 0 3 29 1 0 0 0 0 3 33 1 0 0 0 0 4 19 2 0 0 0 0 5 25 2 0 0 0 0 6 12 1 0 0 0 0 6 34 1 0 0 0 0 7 31 2 0 0 0 0 8 32 2 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 18 10 1 1 0 0 0 10 25 1 0 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 11 30 1 0 0 0 0 12 26 2 0 0 0 0 13 27 2 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 46 1 0 0 0 0 15 28 1 0 0 0 0 15 33 2 0 0 0 0 16 33 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 6 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 45 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 M END > 59857949 > 1 > 1020 > 11 > 3 > 7 > AAADceB7+ABgAAAAAAAAAAAAAABYAWAAAAAgQAAAAAAQAAABgAAAHgQcAAAADCjF1gajkRP6EAisAwVydAAA8KlhCjkTKJW4IBiAYJggxCEUAAAAFgKgACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-N-[(6R,7R)-2-methyl-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide > (2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-N-[(6R,7R)-2-methyl-3-[[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide > (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[(6R,7R)-2-methyl-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide > (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[(6R,7R)-2-methyl-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]acetamide > (2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-N-[(6R,7R)-2-methyl-3-[[2-methyl-5,6-bis(oxidanylidene)-1H-1,2,4-triazin-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]ethanamide > (2Z)-2-(2-aminothiazol-4-yl)-N-[(6R,7R)-3-[[(5,6-diketo-2-methyl-1H-1,2,4-triazin-3-yl)thio]methyl]-8-keto-2-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-methyloximino-acetamide > InChI=1S/C18H20N8O5S3/c1-7-8(5-34-18-22-13(28)14(29)23-25(18)2)4-32-16-11(15(30)26(7)16)21-12(27)10(24-31-3)9-6-33-17(19)20-9/h6,11,16H,4-5H2,1-3H3,(H2,19,20)(H,21,27)(H,23,29)/b24-10-/t11-,16-/m1/s1 > XTPQHNDLJAXDQZ-RIOJOGQASA-N > -0.6 > 524.07187929 > C18H20N8O5S3 > 524.6 > CC1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)CSC4=NC(=O)C(=O)NN4C > CC1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)CSC4=NC(=O)C(=O)NN4C > 251 > 524.07187929 > 0 > 34 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 18 10 5 11 14 8 11 27 8 13 27 8 13 31 8 14 32 8 15 28 8 15 33 8 17 35 6 28 29 8 3 29 8 3 33 8 31 32 8 $$$$