53130 -OEChem-06191322472D 66 70 0 1 0 0 0 0 0999 V2000 7.0468 1.0400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.5400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 3.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 4.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8540 2.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 4.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7101 -1.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1647 1.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8108 -1.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.5400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 0.8273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0380 -0.5898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.6332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 4.0345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9277 -3.9378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.2424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.5400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9211 1.5358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9211 2.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5932 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 4.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 0.3755 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2653 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9710 -0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5261 1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7437 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 3.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9374 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4926 1.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4829 -2.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1982 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 -2.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1885 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 1.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2556 -3.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9613 -4.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7005 -5.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1311 0.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6821 0.9638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4650 0.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 1.6476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 0.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8986 -0.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4388 -0.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 5.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8093 -0.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0886 2.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3749 -0.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6543 2.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7877 -2.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 1.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 1.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 1.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3652 -4.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6564 -3.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3264 2.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1019 -4.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5388 -5.7585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2990 -5.3217 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 25 1 0 0 0 0 2 32 1 0 0 0 0 3 20 2 0 0 0 0 4 26 1 0 0 0 0 4 52 1 0 0 0 0 5 24 2 0 0 0 0 6 26 2 0 0 0 0 7 31 2 0 0 0 0 8 36 1 0 0 0 0 8 63 1 0 0 0 0 9 37 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 24 1 0 0 0 0 11 45 1 0 0 0 0 12 27 1 0 0 0 0 12 31 1 0 0 0 0 12 51 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 39 1 0 0 0 0 14 17 1 0 0 0 0 14 32 2 0 0 0 0 15 17 2 0 0 0 0 16 38 1 0 0 0 0 16 41 1 0 0 0 0 16 61 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 6 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 33 1 0 0 0 0 29 53 1 0 0 0 0 30 34 2 0 0 0 0 30 54 1 0 0 0 0 31 35 1 0 0 0 0 33 36 2 0 0 0 0 33 55 1 0 0 0 0 34 36 1 0 0 0 0 34 56 1 0 0 0 0 35 37 1 0 0 0 0 35 38 2 0 0 0 0 37 40 1 0 0 0 0 38 57 1 0 0 0 0 39 58 1 0 0 0 0 39 59 1 0 0 0 0 39 60 1 0 0 0 0 40 41 2 0 0 0 0 40 62 1 0 0 0 0 41 42 1 0 0 0 0 42 64 1 0 0 0 0 42 65 1 0 0 0 0 42 66 1 0 0 0 0 M END > 53130 > 1 > 1270 > 13 > 5 > 9 > AAADceB7+ABgAAAAAAAAAAAAAABYAWAAAAAwQIAAAAAQAAABwAAAHgQYCAAADCzF2ASzHofIAgiqAqXWfACCEANgopANyIGODMiKZjqqlTOUcAhk1hG4mceY2IOOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (6R,7R)-7-[[2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[2-(4-hydroxyphenyl)-2-[[(6-methyl-4-oxo-1H-pyridin-3-yl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxidanylidene-1H-pyridin-3-yl)carbonylamino]ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-7-[[2-(4-hydroxyphenyl)-2-[(4-keto-6-methyl-1H-pyridine-3-carbonyl)amino]acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17?,18-,23-/m1/s1 > PWAUCHMQEXVFJR-ZAZMHIJSSA-N > -0.1 > 612.120937 > C25H24N8O7S2 > 612.63746 > CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O > CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O > 259 > 612.120937 > 0 > 42 > 2 > 1 > 0 > 0 > 0 > 1 > 152 > 1 5 255 > 19 11 5 13 15 8 13 32 8 14 17 8 14 32 8 15 17 8 16 38 8 16 41 8 18 43 6 27 50 3 28 29 8 28 30 8 29 33 8 30 34 8 33 36 8 34 36 8 35 37 8 35 38 8 37 40 8 40 41 8 $$$$