24867842 -OEChem-04252400232D 52 55 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 7.1962 2.6760 0.0000 O 0 5 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 2.0000 2.6760 0.0000 O 0 5 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 12.0534 -2.4538 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 4.5981 2.1760 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 2.8660 1.1760 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 3 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 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 14.6395 -0.3531 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 10.8262 -3.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -0.9232 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 14.0228 -2.4816 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 19 1 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 2 29 1 0 0 0 0 3 31 1 0 0 0 0 3 33 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 6 26 2 0 0 0 0 7 27 2 0 0 0 0 8 13 1 0 0 0 0 8 36 1 0 0 0 0 9 34 2 0 0 0 0 10 35 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 20 12 1 1 0 0 0 12 27 1 0 0 0 0 12 41 1 0 0 0 0 13 28 2 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 14 32 1 0 0 0 0 15 29 2 0 0 0 0 15 34 1 0 0 0 0 16 30 1 0 0 0 0 16 33 2 0 0 0 0 17 35 2 0 0 0 0 18 33 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 31 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 34 35 1 0 0 0 0 36 48 1 0 0 0 0 36 49 1 0 0 0 0 36 50 1 0 0 0 0 M CHG 2 5 -1 10 -1 M END > 24867842 > 1 > 1120 > 14 > 2 > 7 > AAADceB7+ABgAAAAAAAAAAAAAABYAWAAAAAgQAAAAAAQAAABgAAAHgQcAAAADCjF1gajmRPYEAisAwXyfAIQ8KlhCjkBCJX4IFiCZJggxCEUEAAAHgKwASAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > (7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > (7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > (7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > (7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(2-methyl-6-oxidanidyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > (7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-3-[[(5-keto-2-methyl-6-oxido-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/p-2/b24-8-/t9-,15?/m1/s1 > VAAUVRVFOQPIGI-DAMLXXHOSA-L > 0.3 > 552.03040840 > C18H16N8O7S3-2 > 552.6 > CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-] > CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-] > 297 > 552.03040840 > -2 > 36 > 1 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 19 1 3 20 12 5 14 17 8 14 29 8 15 29 8 15 34 8 16 30 8 16 33 8 17 35 8 3 31 8 3 33 8 30 31 8 34 35 8 $$$$