24792619 -OEChem-05112416012D 70 75 0 1 0 0 0 0 0999 V2000 8.0932 -4.5842 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6342 -2.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0351 -0.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1199 2.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9907 0.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 0.3925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 1.3407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7311 -1.1391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4274 -0.1953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6184 0.3925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9274 1.3435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9274 1.3435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6184 -0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7370 -1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1217 1.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0391 -0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 2.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 -1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2172 -1.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7994 -2.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3189 -1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5097 2.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1084 3.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0975 2.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 3.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9122 -2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3134 -1.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6908 3.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0920 2.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 2.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 3.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -3.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9012 -2.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4945 -3.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 4.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 4.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3547 -0.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 2.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5398 1.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 -0.1871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1002 -1.1733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 -1.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2806 1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1523 -1.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 -1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -2.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2978 -2.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1639 -3.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 -2.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 1.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 3.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4441 4.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2956 -2.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5656 -1.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0552 4.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0272 2.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7086 2.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1568 3.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 2.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 3.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5178 -2.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8589 -4.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 4.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 5.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 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 41 1 6 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 42 1 6 0 0 0 12 18 1 1 0 0 0 12 43 1 0 0 0 0 13 19 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 18 24 1 0 0 0 0 18 25 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 26 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 27 2 0 0 0 0 24 55 1 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 26 33 2 0 0 0 0 26 34 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 28 31 2 0 0 0 0 28 57 1 0 0 0 0 29 35 1 0 0 0 0 29 58 1 0 0 0 0 30 36 2 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 38 1 0 0 0 0 33 64 1 0 0 0 0 34 39 2 0 0 0 0 34 65 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 40 2 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 40 70 1 0 0 0 0 M END > 24792619 > 1 > 1040 > 4 > 0 > 6 > AAADceB/OAAEAAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAWLAABUAAAHgIAAAAADarBmCQzwIMAAACIAiVSUACCAAAhBwAIiAGIZoiIYDrB07GUIAhohyLIyCcdi8CegAACAAIAAAAAAAQABAAAAAAAAAAAAA== > (1S,2R,7S,8R)-10-benzyl-4-(3-chlorophenyl)-2-isobutyl-7-(m-tolyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-chlorophenyl)-7-(3-methylphenyl)-2-(2-methylpropyl)-10-(phenylmethyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-benzyl-4-(3-chlorophenyl)-7-(3-methylphenyl)-2-(2-methylpropyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-benzyl-4-(3-chlorophenyl)-7-(3-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-chlorophenyl)-7-(3-methylphenyl)-2-(2-methylpropyl)-10-(phenylmethyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-benzyl-4-(3-chlorophenyl)-2-isobutyl-7-(m-tolyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C32H30ClN3O4/c1-19(2)17-32-26-25(28(37)34(29(26)38)18-21-10-5-4-6-11-21)27(22-12-7-9-20(3)15-22)36(32)31(40)35(30(32)39)24-14-8-13-23(33)16-24/h4-16,19,25-27H,17-18H2,1-3H3/t25-,26-,27-,32-/m1/s1 > VIUXYEOJLIIDIM-YDCVZUCISA-N > 5.2 > 555.1924841 > C32H30ClN3O4 > 556.0 > CC1=CC(=CC=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C5(N2C(=O)N(C5=O)C6=CC(=CC=C6)Cl)CC(C)C > CC1=CC(=CC=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)CC4=CC=CC=C4)[C@]5(N2C(=O)N(C5=O)C6=CC(=CC=C6)Cl)CC(C)C > 78 > 555.1924841 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 41 6 11 42 6 12 18 5 18 24 8 18 25 8 23 29 8 23 30 8 24 27 8 25 28 8 26 33 8 26 34 8 27 31 8 28 31 8 29 35 8 30 36 8 33 38 8 34 39 8 35 37 8 36 37 8 38 40 8 39 40 8 9 13 6 $$$$