24790398 -OEChem-05062401032D 67 72 0 1 0 0 0 0 0999 V2000 8.8627 4.4774 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.6664 -4.4774 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6193 -0.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 2.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 -2.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5749 0.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8206 0.2902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.2385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3153 -1.2413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 -0.2975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2026 0.2902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5116 1.2413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5116 1.2413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2085 0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3212 -1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6233 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0994 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 -2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 2.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8013 -1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3836 -2.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2804 3.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6817 2.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8976 -1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 -2.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2749 3.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3946 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 -3.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9824 -3.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4854 -2.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 -3.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0786 -3.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9388 -0.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7732 2.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 1.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0317 -0.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -1.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 3.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3461 1.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 2.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 2.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 1.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 3.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 2.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 0.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 0.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2317 0.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4369 -1.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0002 -2.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 4.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2983 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 -1.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8797 -3.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -2.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3413 -4.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7302 -4.1924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8320 -4.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 40 1 0 0 0 0 3 14 2 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 6 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 41 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 42 1 6 0 0 0 13 19 1 1 0 0 0 13 43 1 0 0 0 0 15 21 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 2 0 0 0 0 21 29 1 0 0 0 0 22 32 2 0 0 0 0 22 33 1 0 0 0 0 23 30 1 0 0 0 0 23 46 1 0 0 0 0 24 31 2 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 35 1 0 0 0 0 28 57 1 0 0 0 0 29 36 2 0 0 0 0 29 58 1 0 0 0 0 30 34 2 0 0 0 0 30 59 1 0 0 0 0 31 34 1 0 0 0 0 31 60 1 0 0 0 0 32 38 1 0 0 0 0 32 61 1 0 0 0 0 33 39 2 0 0 0 0 33 62 1 0 0 0 0 35 37 2 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 38 40 2 0 0 0 0 38 66 1 0 0 0 0 39 40 1 0 0 0 0 39 67 1 0 0 0 0 M END > 24790398 > 1 > 1060 > 4 > 0 > 5 > AAADceB7OAAAGAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAWLAABUAAAHgBAAAABrajBmAQzwIMAAACIAiVSUACCAAAhAgQIiAGIZKiIYDrA0bGUIAhohyLIyjcdi8CeggAgAAAAAAAEAEAAAAAAAAAAAAAAAA== > (1S,2R,7S,8R)-2-benzyl-4,7-bis(4-bromophenyl)-10-tert-butyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4,7-bis(4-bromophenyl)-10-tert-butyl-2-(phenylmethyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-2-benzyl-4,7-bis(4-bromophenyl)-10-tert-butyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-2-benzyl-4,7-bis(4-bromophenyl)-10-tert-butyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4,7-bis(4-bromophenyl)-10-tert-butyl-2-(phenylmethyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-2-benzyl-4,7-bis(4-bromophenyl)-10-tert-butyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C31H27Br2N3O4/c1-30(2,3)36-26(37)23-24(27(36)38)31(17-18-7-5-4-6-8-18)28(39)34(22-15-13-21(33)14-16-22)29(40)35(31)25(23)19-9-11-20(32)12-10-19/h4-16,23-25H,17H2,1-3H3/t23-,24-,25-,31-/m1/s1 > AZRHYCZGOWRXOB-GTEDWBNGSA-N > 5.3 > 665.03478 > C31H27Br2N3O4 > 665.4 > CC(C)(C)N1C(=O)C2C(C1=O)C3(C(=O)N(C(=O)N3C2C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)CC6=CC=CC=C6 > CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]3(C(=O)N(C(=O)N3[C@@H]2C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)CC6=CC=CC=C6 > 78 > 663.03683 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 6 11 41 6 12 42 6 13 19 5 19 23 8 19 24 8 21 28 8 21 29 8 22 32 8 22 33 8 23 30 8 24 31 8 28 35 8 29 36 8 30 34 8 31 34 8 32 38 8 33 39 8 35 37 8 36 37 8 38 40 8 39 40 8 $$$$