70463460 -OEChem-05082414372D 80 80 0 1 0 0 0 0 0999 V2000 5.0863 3.3122 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 1.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 3.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7262 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3735 0.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1353 2.0032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.2810 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1353 3.0032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6741 2.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 1.6942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1270 3.0074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1270 1.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 3.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 11.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 9.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4831 3.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4831 1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3953 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 12.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 12.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 7.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 10.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 13.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 3.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6479 1.2558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5539 2.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9299 4.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 4.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 11.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 11.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 9.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 9.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 11.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 10.7485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 9.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 9.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8475 2.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9847 3.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1187 3.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1187 1.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9847 1.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8475 2.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 9.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 9.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 10.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 10.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 11.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 12.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 8.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 8.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 11.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 11.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 9.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 9.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 13.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 12.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 7.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 8.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0174 3.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 9.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 9.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 10.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 10.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 9.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 13.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 14.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 14.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 6.2799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 6.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 12 2 0 0 0 0 3 13 1 0 0 0 0 3 68 1 0 0 0 0 4 20 1 0 0 0 0 5 20 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 33 1 6 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 6 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 1 0 0 0 11 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 21 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 22 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 23 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 24 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 21 25 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 26 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 27 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 28 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 30 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 31 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 32 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 M CHG 2 4 -1 7 1 M END > 70463460 > 1 > 441 > 5 > 1 > 13 > AAADcfB7OABAAAAAAAAAAAAAAABYAWAAAAAAAAAABYAAAAAAAAAAHgQACAAADSjlwAaCCAMAAggIAAGQGAAAAABAABAAAAGIAAACEBwggCAEQAAGJgCwAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,5R,6R)-6-(hydroxymethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;tetrabutylammonium > (2S,5R,6R)-6-(hydroxymethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;tetrabutylammonium > (2S,5R,6R)-6-(hydroxymethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;tetrabutylazanium > (2S,5R,6R)-6-(hydroxymethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;tetrabutylazanium > (2S,5R,6R)-6-(hydroxymethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;tetrabutylazanium > (2S,5R,6R)-7-keto-3,3-dimethyl-6-methylol-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;tetrabutylammonium > InChI=1S/C16H36N.C9H13NO4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h5-16H2,1-4H3;4-5,7,11H,3H2,1-2H3,(H,13,14)/q+1;/p-1/t;4-,5+,7-/m.1/s1 > YBJDJTGUCXLZOJ-FTMVCHSISA-M > 472.33347919 > C25H48N2O4S > 472.7 > CCCC[N+](CCCC)(CCCC)CCCC.CC1(C(N2C(S1)C(C2=O)CO)C(=O)[O-])C > CCCC[N+](CCCC)(CCCC)CCCC.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)CO)C(=O)[O-])C > 106 > 472.33347919 > 0 > 32 > 3 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 20 6 11 13 5 8 33 6 $$$$