24792665 -OEChem-03192407002D 66 70 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 6.2184 -2.2369 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 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 5.2026 -0.8853 0.0000 C 0 0 0 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 6.3212 -1.2422 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 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 4.7958 -1.7989 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 7.9031 -2.0503 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 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 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 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 4.4314 -1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 -1.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 -1.9683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 -2.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -2.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 -3.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -2.2435 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 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 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 37 1 0 0 0 0 3 15 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 15 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 16 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 14 1 6 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 6 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 6 0 0 0 13 19 1 1 0 0 0 13 40 1 0 0 0 0 14 20 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 43 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 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 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 30 1 0 0 0 0 25 50 1 0 0 0 0 26 31 2 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 34 2 0 0 0 0 30 61 1 0 0 0 0 31 34 1 0 0 0 0 31 62 1 0 0 0 0 32 35 1 0 0 0 0 32 63 1 0 0 0 0 33 36 2 0 0 0 0 33 64 1 0 0 0 0 35 37 2 0 0 0 0 35 65 1 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 M END > 24792665 > 1 > 980 > 4 > 0 > 5 > AAADceB7OAAAGAAAAAAAAAAAAAAAAWLFgAAwYAAAAAAWLAABQAAAHgBAAAABrajBmAQzwIMAAACIAiVSUACCAAAhAgQIiAGIZKiIYDrA0bGUIAhohyLIyjcdi8CeggAgAAAAAAAEAEAAAAAAAAAAAAAAAA== > (1S,2R,7S,8R)-4,7-bis(4-bromophenyl)-10-tert-butyl-2-isobutyl-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-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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-isobutyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C28H29Br2N3O4/c1-15(2)14-28-21-20(23(34)33(24(21)35)27(3,4)5)22(16-6-8-17(29)9-7-16)32(28)26(37)31(25(28)36)19-12-10-18(30)11-13-19/h6-13,15,20-22H,14H2,1-5H3/t20-,21-,22-,28-/m1/s1 > JYZRZWOXPUREAF-SOLZYKTISA-N > 5.1 > 631.05043 > C28H29Br2N3O4 > 631.4 > CC(C)CC12C3C(C(N1C(=O)N(C2=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)C(=O)N(C3=O)C(C)(C)C > CC(C)C[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)C(=O)N(C3=O)C(C)(C)C > 78 > 629.05248 > 0 > 37 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 6 11 38 6 12 39 6 13 19 5 19 25 8 19 26 8 22 32 8 22 33 8 25 30 8 26 31 8 30 34 8 31 34 8 32 35 8 33 36 8 35 37 8 36 37 8 $$$$