23641054 -OEChem-04262411552D 60 64 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 Cl 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 5.7348 -1.9477 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 4.2890 -0.3741 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 6.6926 3.0684 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 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 7.2804 3.8774 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 7.4963 -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 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 4.8559 -1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6486 -1.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5412 0.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 -0.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0368 -0.9405 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 8.3461 1.4839 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 7.0282 4.4438 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 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 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 32 1 0 0 0 0 2 33 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 36 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 6 0 0 0 13 19 1 1 0 0 0 13 38 1 0 0 0 0 15 21 1 0 0 0 0 15 39 1 0 0 0 0 15 40 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 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 30 2 0 0 0 0 22 31 1 0 0 0 0 23 28 1 0 0 0 0 23 44 1 0 0 0 0 24 29 2 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 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 32 2 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 29 56 1 0 0 0 0 30 33 1 0 0 0 0 30 57 1 0 0 0 0 31 34 2 0 0 0 0 31 58 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 M END > 23641054 > 1 > 945 > 4 > 0 > 4 > AAADceB7OAAEEAAAAAAAAAAAAAAAAWLFgAAwYAAAAAAWLAABQAAAHgJAAAABrarBmCQzwIMAAACIAiVSUACCAAAhBwQIiAGIZqiIYDrB07GUIAhohyLIyjcdi8CeggAAAAIAAAAEAAAABAAAAAAAAAAAAA== > (1S,2R,7S,8R)-7-(4-bromophenyl)-10-tert-butyl-4-(3-chlorophenyl)-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-7-(4-bromophenyl)-10-tert-butyl-4-(3-chlorophenyl)-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-7-(4-bromophenyl)-10-tert-butyl-4-(3-chlorophenyl)-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-7-(4-bromophenyl)-10-tert-butyl-4-(3-chlorophenyl)-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-7-(4-bromophenyl)-10-tert-butyl-4-(3-chlorophenyl)-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-7-(4-bromophenyl)-10-tert-butyl-4-(3-chlorophenyl)-2-ethyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C26H25BrClN3O4/c1-5-26-19-18(21(32)31(22(19)33)25(2,3)4)20(14-9-11-15(27)12-10-14)30(26)24(35)29(23(26)34)17-8-6-7-16(28)13-17/h6-13,18-20H,5H2,1-4H3/t18-,19-,20-,26-/m1/s1 > NLJRPGLJWFVHDS-QIRMHMFVSA-N > 4.2 > 557.07170 > C26H25BrClN3O4 > 558.8 > CCC12C3C(C(N1C(=O)N(C2=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)Br)C(=O)N(C3=O)C(C)(C)C > CC[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)Br)C(=O)N(C3=O)C(C)(C)C > 78 > 557.07170 > 0 > 35 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 6 11 36 6 12 37 6 13 19 5 19 23 8 19 24 8 22 30 8 22 31 8 23 28 8 24 29 8 28 32 8 29 32 8 30 33 8 31 34 8 33 35 8 34 35 8 $$$$