6436140 -OEChem-05092401492D 51 54 0 1 0 0 0 0 0999 V2000 8.9282 -1.7307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.5070 -1.2055 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5082 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7354 -0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7307 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7693 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5082 -1.9434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2307 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 1.7693 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8025 -1.2349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8025 -0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4746 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1803 -2.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1467 -2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9226 -2.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7624 -2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5055 -1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0125 -2.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5635 -1.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3465 -2.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -1.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -1.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6717 -2.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4411 -2.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8889 -3.3883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3407 -2.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8967 -0.7789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 26 1 0 0 0 0 2 34 1 0 0 0 0 3 17 2 0 0 0 0 4 22 1 0 0 0 0 4 45 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 13 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 16 12 1 1 0 0 0 12 21 1 0 0 0 0 12 38 1 0 0 0 0 13 29 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 6 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 46 1 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 47 1 0 0 0 0 31 34 2 0 0 0 0 31 49 1 0 0 0 0 32 35 2 0 0 0 0 32 48 1 0 0 0 0 33 35 1 0 0 0 0 33 50 1 0 0 0 0 34 51 1 0 0 0 0 M CHG 4 7 -1 9 -1 13 1 14 1 M END > 6436140 > 1 > 991 > 10 > 2 > 6 > AAADceB7vABgAAAAAAAAAAAAAABYASAAAAAwQAAAAAAQAAABwAAAHgQUCAAADCjF2ASwyYPQQgiNAiXSWwCDAIBgChBoiJmIZMoKZDqg1fGUMABglgC42QcYiAAOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA== > (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)vinyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)vinyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > InChI=1S/C21H16N4O8S2/c26-16(9-14-2-1-7-34-14)22-17-19(27)23-18(21(28)29)12(10-35-20(17)23)4-3-11-5-6-13(24(30)31)8-15(11)25(32)33/h1-8,17,20H,9-10H2,(H,22,26)(H,28,29)/b4-3+/t17-,20-/m1/s1 > LHNIIDJCEODSHA-OQRUQETBSA-N > 2.2 > 516.04095583 > C21H16N4O8S2 > 516.5 > C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C=CC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] > C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] > 232 > 516.04095583 > 0 > 35 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 16 12 5 15 36 6 2 26 8 2 34 8 26 28 8 27 29 8 27 30 8 28 31 8 29 32 8 30 33 8 31 34 8 32 35 8 33 35 8 $$$$