23641049 -OEChem-05112413432D 63 67 0 1 0 0 0 0 0999 V2000 6.9342 -4.5819 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4753 -2.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 -0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 2.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8317 0.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 0.3948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 1.3430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5722 -1.1368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2684 -0.1930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4594 0.3948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7684 1.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7684 1.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4594 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5781 -1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4653 0.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9627 1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3562 2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 -1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0582 -1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6405 -2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1599 -1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9495 3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3507 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5373 3.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9385 2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7532 -2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1545 -1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5318 3.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3410 -3.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7422 -2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1196 4.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3355 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 -0.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 1.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2885 -0.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9412 -1.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 -1.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 1.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9934 -1.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 -1.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -2.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 -2.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0049 -3.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -2.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 3.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6029 1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6064 2.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 3.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 2.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2851 4.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5551 2.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1366 -2.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 -1.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3588 -2.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6212 4.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4840 5.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6180 4.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6999 -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 14 2 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 9 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 6 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 36 1 6 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 37 1 6 0 0 0 12 18 1 1 0 0 0 12 38 1 0 0 0 0 13 19 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 26 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 27 1 0 0 0 0 24 50 1 0 0 0 0 25 28 2 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 31 2 0 0 0 0 27 55 1 0 0 0 0 28 31 1 0 0 0 0 28 56 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 33 2 0 0 0 0 30 58 1 0 0 0 0 31 34 1 0 0 0 0 32 35 2 0 0 0 0 33 35 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 M END > 23641049 > 1 > 916 > 4 > 0 > 5 > AAADceB7OAAAEAAAAAAAAAAAAAAAAWLFgAAwYAAAAAAWLAABQAAAHgBAAAABrajBmAQzwIMAAACIAiVSUACCAAAhAgQIiAGIZKiIYDrA0bGUIAhohyLIyjcdi8CewAAAAAEAAACAAAAAAgAAAAAAAAAAAA== > (1S,2R,7S,8R)-4-(3-bromophenyl)-10-ethyl-2-isobutyl-7-(p-tolyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-10-ethyl-7-(4-methylphenyl)-2-(2-methylpropyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-10-ethyl-7-(4-methylphenyl)-2-(2-methylpropyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-10-ethyl-7-(4-methylphenyl)-2-(2-methylpropyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-10-ethyl-7-(4-methylphenyl)-2-(2-methylpropyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-10-ethyl-2-isobutyl-7-(p-tolyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C27H28BrN3O4/c1-5-29-23(32)20-21(24(29)33)27(14-15(2)3)25(34)30(19-8-6-7-18(28)13-19)26(35)31(27)22(20)17-11-9-16(4)10-12-17/h6-13,15,20-22H,5,14H2,1-4H3/t20-,21-,22-,27-/m1/s1 > RPFLYDRFZNCVAG-XAYSYOTPSA-N > 4.1 > 537.12632 > C27H28BrN3O4 > 538.4 > CCN1C(=O)C2C(C1=O)C3(C(=O)N(C(=O)N3C2C4=CC=C(C=C4)C)C5=CC(=CC=C5)Br)CC(C)C > CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]3(C(=O)N(C(=O)N3[C@@H]2C4=CC=C(C=C4)C)C5=CC(=CC=C5)Br)CC(C)C > 78 > 537.12632 > 0 > 35 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 36 6 11 37 6 12 18 5 18 24 8 18 25 8 23 29 8 23 30 8 24 27 8 25 28 8 27 31 8 28 31 8 29 32 8 30 33 8 32 35 8 33 35 8 9 13 6 $$$$