24792615 -OEChem-04192420502D 67 72 0 1 0 0 0 0 0999 V2000 8.8627 4.5819 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.6774 -4.5819 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6193 -0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 2.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 -2.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5749 0.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8206 0.3948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.3430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3153 -1.1368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 -0.1930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2026 0.3948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5116 1.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5116 1.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2085 0.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3212 -1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6233 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0994 2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 -1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8013 -1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3836 -2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6817 2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2804 3.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 -2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8976 -1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2749 3.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3946 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 -3.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9824 -3.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 -3.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4854 -2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0786 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9388 -0.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7732 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 1.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0317 -0.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -1.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3461 1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 3.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 2.5507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 2.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 1.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 2.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 3.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 2.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 0.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2317 0.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4369 -1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0002 -2.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2983 2.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 4.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8797 -2.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 -1.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -2.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3413 -3.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7302 -4.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 -2.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4431 -4.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 38 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 39 40 1 0 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 M END > 24792615 > 1 > 1060 > 4 > 0 > 5 > AAADceB7OAAAGAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAWLAABUAAAHgBAAAABrajBmAQzwIMAAACIAiVSUACCAAAhAgQIiAGIZKiIYDrA0bGUIAhohyLIyjcdi8CeggAAAAEAAAAEAAAAAgAAAAAAAAAAAA== > (1S,2R,7S,8R)-2-benzyl-4-(3-bromophenyl)-7-(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-(3-bromophenyl)-7-(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-(3-bromophenyl)-7-(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-(3-bromophenyl)-7-(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-(3-bromophenyl)-7-(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-(3-bromophenyl)-7-(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(17-18-8-5-4-6-9-18)28(39)34(22-11-7-10-21(33)16-22)29(40)35(31)25(23)19-12-14-20(32)15-13-19/h4-16,23-25H,17H2,1-3H3/t23-,24-,25-,31-/m1/s1 > NHLNWWUQHDMDHC-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(=CC=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(=CC=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 $$$$