51340262 -OEChem-05142410082D 74 75 0 1 0 0 0 0 0999 V2000 5.9241 1.0318 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0664 0.0419 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4639 -0.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 3.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0404 -2.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2048 -0.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 3.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2531 0.7810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8291 -1.4373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 2.6632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 1.9414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6403 -0.7138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 1.7068 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7302 2.2461 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9596 -0.9866 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3035 -1.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 1.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 -2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4374 1.0318 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3924 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2796 2.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4273 1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 2.4820 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7762 3.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6808 -0.9956 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8084 -1.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2951 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1808 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 -3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6107 -2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7213 -0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7989 2.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0454 0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9867 1.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2808 2.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0758 -1.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9134 -1.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7612 -2.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4222 1.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2184 1.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0204 -2.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6358 0.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7346 1.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0410 1.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2384 3.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 3.2165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8046 3.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1568 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9099 -1.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6813 -2.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1865 3.2823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4906 2.3474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9755 -1.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1934 2.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8081 1.5354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 2.8478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 2.6600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 1.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 -3.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 -3.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4408 -3.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4923 -3.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2193 -2.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 -2.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1457 -0.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0565 -0.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3745 1.8720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0294 2.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2233 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5581 0.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4287 -0.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5328 0.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 2 33 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 26 2 0 0 0 0 6 27 2 0 0 0 0 7 28 2 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 8 44 1 0 0 0 0 9 15 1 0 0 0 0 9 26 1 0 0 0 0 9 52 1 0 0 0 0 10 21 1 0 0 0 0 10 23 1 0 0 0 0 10 53 1 0 0 0 0 11 19 1 0 0 0 0 11 28 1 0 0 0 0 11 54 1 0 0 0 0 12 25 1 0 0 0 0 12 27 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 30 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 27 1 0 0 0 0 19 45 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 46 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 25 51 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 M END > 51340262 > 1 > 809 > 7 > 5 > 5 > AAADcfB7uABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQAAAADSjFwASCAALAAAAIAAEQEAAAAAAAAAAAAIGIAAAAQBIAgCAUAAAAFgCAAAAYAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 7-isobutyl-13-isopropyl-4-sec-butyl-17,18-dithia-2,5,8,11,14-pentazabicyclo[8.5.4]nonadecane-3,6,9,12,15-pentone > 4-butan-2-yl-7-(2-methylpropyl)-13-propan-2-yl-17,18-dithia-2,5,8,11,14-pentazabicyclo[8.5.4]nonadecane-3,6,9,12,15-pentone > 4-butan-2-yl-7-(2-methylpropyl)-13-propan-2-yl-17,18-dithia-2,5,8,11,14-pentazabicyclo[8.5.4]nonadecane-3,6,9,12,15-pentone > 4-butan-2-yl-7-(2-methylpropyl)-13-propan-2-yl-17,18-dithia-2,5,8,11,14-pentazabicyclo[8.5.4]nonadecane-3,6,9,12,15-pentone > 4-butan-2-yl-7-(2-methylpropyl)-13-propan-2-yl-17,18-dithia-2,5,8,11,14-pentazabicyclo[8.5.4]nonadecane-3,6,9,12,15-pentone > 7-isobutyl-13-isopropyl-4-sec-butyl-17,18-dithia-2,5,8,11,14-pentazabicyclo[8.5.4]nonadecane-3,6,9,12,15-pentone > InChI=1S/C23H39N5O5S2/c1-7-13(6)18-23(33)26-16-10-35-34-9-15(25-22(32)17(12(4)5)27-21(16)31)20(30)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,30)(H,25,32)(H,26,33)(H,27,31)(H,28,29) > WSJVAPAQFLTCDD-UHFFFAOYSA-N > 2.1 > 529.23926171 > C23H39N5O5S2 > 529.7 > CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)N1)CC(C)C)NC(=O)C(NC2=O)C(C)C > CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)N1)CC(C)C)NC(=O)C(NC2=O)C(C)C > 196 > 529.23926171 > 0 > 35 > 0 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 21 3 14 24 3 15 16 3 19 22 3 23 29 3 25 33 3 $$$$