59857959 -OEChem-05122406072D 56 59 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 14.6395 -0.3531 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 7.1962 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.6760 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 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 14.0566 -1.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8292 -1.6799 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 6.3301 1.1760 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 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 13.6410 -0.2987 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 2.8660 2.1760 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 14.8963 -1.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6760 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 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 7.1962 3.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3044 0.2219 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 2.0000 3.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3660 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 16.3118 -1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9249 -2.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 30 1 0 0 0 0 3 34 1 0 0 0 0 4 20 2 0 0 0 0 5 25 1 0 0 0 0 5 44 1 0 0 0 0 6 25 2 0 0 0 0 7 26 2 0 0 0 0 8 13 1 0 0 0 0 8 36 1 0 0 0 0 9 33 2 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 19 11 1 1 0 0 0 11 26 1 0 0 0 0 11 41 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 12 31 1 0 0 0 0 13 27 2 0 0 0 0 14 28 2 0 0 0 0 14 33 1 0 0 0 0 15 32 1 0 0 0 0 15 46 1 0 0 0 0 16 29 1 0 0 0 0 16 34 2 0 0 0 0 17 34 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 6 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 45 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 35 2 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 36 52 1 0 0 0 0 36 53 1 0 0 0 0 36 54 1 0 0 0 0 M END > 59857959 > 1 > 1110 > 13 > 4 > 8 > AAADceB7+ABgAAAAAAAAAAAAAABYAWAAAAAgQAAAAAAQAAABgAAAHgQcCAAADCjF1gajmRP6EgisAwXyfACA8KlhCjkRKJW4IFiCZJggxCEUEAAAFgKwEaAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-6-methylene-5-oxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(2-methyl-6-methylene-5-oxo-1H-1,2,4-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-methylidene-5-oxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-methylidene-5-oxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(2-methyl-6-methylidene-5-oxidanylidene-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-3-[[(5-keto-2-methyl-6-methylene-1H-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > InChI=1S/C19H20N8O6S3/c1-7-13(28)23-19(26(2)24-7)36-5-8-4-34-16-11(15(30)27(16)12(8)17(31)32)22-14(29)10(25-33-3)9-6-35-18(20)21-9/h6,11,16,24H,1,4-5H2,2-3H3,(H2,20,21)(H,22,29)(H,31,32)/b25-10-/t11-,16-/m1/s1 > ANSQFEBCMRABCT-YJTPYROTSA-N > -0.2 > 552.06679391 > C19H20N8O6S3 > 552.6 > CN1C(=NC(=O)C(=C)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O > CN1C(=NC(=O)C(=C)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O > 271 > 552.06679391 > 0 > 36 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 19 11 5 16 29 8 16 34 8 18 37 6 29 30 8 3 30 8 3 34 8 $$$$