24792623 -OEChem-05042411102D 64 69 0 1 0 0 0 0 0999 V2000 8.6285 -4.5819 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.8138 4.5819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6552 2.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6859 -1.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5260 0.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7716 0.3948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 1.3430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2663 -1.1368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9626 -0.1930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1536 0.3948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4626 1.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4626 1.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1595 0.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1536 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2723 -1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5744 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0504 2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 2.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2401 -0.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 2.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8541 -1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6437 3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0449 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2315 3.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6327 2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4474 -2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8487 -1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 3.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0352 -3.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4364 -2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0297 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8899 -0.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1812 1.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8069 -1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5996 -1.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 1.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 2.6518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 3.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 0.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 0.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 0.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6737 -0.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9879 -0.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 3.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 3.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 1.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 0.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 2.7959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 2.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0271 3.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2971 1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9793 4.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2493 2.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8308 -2.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1008 -1.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0530 -2.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3941 -4.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 34 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 19 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 9 26 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 38 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 6 0 0 0 13 20 1 1 0 0 0 13 40 1 0 0 0 0 15 23 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 20 28 2 0 0 0 0 20 29 1 0 0 0 0 21 24 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 25 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 32 2 0 0 0 0 26 33 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 30 1 0 0 0 0 28 57 1 0 0 0 0 29 31 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 35 1 0 0 0 0 32 61 1 0 0 0 0 33 36 2 0 0 0 0 33 62 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 M END > 24792623 > 1 > 981 > 4 > 0 > 4 > AAADceB7OAAEEAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAWLAABQAAAHgJAAAABrarBmCQzwIMAAACIAiVSUACCAAAhBwQIiAGIZqiIYDrB07GUIAhohyLIyjcdi8CehAAAAAEAAAAIAAAAAgAAAAAAAAAAAA== > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C28H27BrClN3O4/c1-2-28-22-21(24(34)31(25(22)35)19-8-4-3-5-9-19)23(16-11-13-18(30)14-12-16)33(28)27(37)32(26(28)36)20-10-6-7-17(29)15-20/h6-7,10-15,19,21-23H,2-5,8-9H2,1H3/t21-,22-,23-,28-/m1/s1 > DTUOASTXNKBUKY-TZTMDHJLSA-N > 5 > 583.08735 > C28H27BrClN3O4 > 584.9 > CCC12C3C(C(N1C(=O)N(C2=O)C4=CC(=CC=C4)Br)C5=CC=C(C=C5)Cl)C(=O)N(C3=O)C6CCCCC6 > CC[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)C4=CC(=CC=C4)Br)C5=CC=C(C=C5)Cl)C(=O)N(C3=O)C6CCCCC6 > 78 > 583.08735 > 0 > 37 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 6 11 38 6 12 39 6 13 20 5 20 28 8 20 29 8 26 32 8 26 33 8 28 30 8 29 31 8 30 34 8 31 34 8 32 35 8 33 36 8 35 37 8 36 37 8 $$$$