24792604 -OEChem-05142404522D 70 74 0 1 0 0 0 0 0999 V2000 3.6193 -1.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 -3.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 2.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5749 -0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8627 3.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8206 -0.5188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.4295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3153 -2.0503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 -1.1066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2026 -0.5188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5116 0.4323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5116 0.4323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2026 -1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2085 -0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3212 -2.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 1.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6233 -1.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0994 1.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -2.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 -2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8013 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3836 -3.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2804 2.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6817 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8976 -2.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 -3.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2749 2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4854 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 -4.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0786 -4.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 4.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9388 -1.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7732 1.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 0.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0317 -1.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -2.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4314 -2.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 -2.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 -2.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 -3.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -3.7813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 -3.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -3.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 2.2197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3461 0.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 1.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 0.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 1.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 2.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 1.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 -0.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 -0.8022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2317 -0.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 3.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2983 1.8810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 -2.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8797 -3.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 -3.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8320 -5.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4431 -4.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0224 4.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2038 5.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8896 4.3297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 33 1 0 0 0 0 5 37 1 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 14 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 6 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 38 1 6 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 39 1 6 0 0 0 12 18 1 1 0 0 0 12 40 1 0 0 0 0 13 19 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 21 31 2 0 0 0 0 21 32 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 29 1 0 0 0 0 24 50 1 0 0 0 0 25 30 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 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 33 2 0 0 0 0 29 61 1 0 0 0 0 30 33 1 0 0 0 0 30 62 1 0 0 0 0 31 34 1 0 0 0 0 31 63 1 0 0 0 0 32 35 2 0 0 0 0 32 64 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 M END > 24792604 > 1 > 959 > 5 > 0 > 6 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAWLFgAAwYAAAAAAWLAABQAAAHgAAAAAADazBmAYzxoMABACIAiVSUACCCAAhIgAIiAGObIiMZjrE8buUMChsxzPI6Ced2+OeoAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (1S,2R,7S,8R)-10-tert-butyl-2-isobutyl-7-(4-methoxyphenyl)-4-phenyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-tert-butyl-7-(4-methoxyphenyl)-2-(2-methylpropyl)-4-phenyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-tert-butyl-7-(4-methoxyphenyl)-2-(2-methylpropyl)-4-phenyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-tert-butyl-7-(4-methoxyphenyl)-2-(2-methylpropyl)-4-phenyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-tert-butyl-7-(4-methoxyphenyl)-2-(2-methylpropyl)-4-phenyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-tert-butyl-2-isobutyl-7-(4-methoxyphenyl)-4-phenyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C29H33N3O5/c1-17(2)16-29-22-21(24(33)32(25(22)34)28(3,4)5)23(18-12-14-20(37-6)15-13-18)31(29)27(36)30(26(29)35)19-10-8-7-9-11-19/h7-15,17,21-23H,16H2,1-6H3/t21-,22-,23-,29-/m1/s1 > MEUWWGAAWJRLTN-PZNASWHRSA-N > 3.7 > 503.24202116 > C29H33N3O5 > 503.6 > CC(C)CC12C3C(C(N1C(=O)N(C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C(=O)N(C3=O)C(C)(C)C > CC(C)C[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C(=O)N(C3=O)C(C)(C)C > 87.2 > 503.24202116 > 0 > 37 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 38 6 11 39 6 12 18 5 18 24 8 18 25 8 21 31 8 21 32 8 24 29 8 25 30 8 29 33 8 30 33 8 31 34 8 32 35 8 34 36 8 35 36 8 9 13 6 $$$$