23641056 -OEChem-05042402052D 70 74 0 1 0 0 0 0 0999 V2000 7.6774 -5.0387 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6193 -0.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 -2.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 2.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5749 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8627 4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8206 -0.0620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.8863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3153 -1.5936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 -0.6498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2026 -0.0620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5116 0.8891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5116 0.8891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2026 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2085 -0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3212 -1.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 1.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6233 -0.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0994 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 -2.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8013 -2.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3836 -2.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 2.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 0.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2804 3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6817 2.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 -3.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8976 -2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2749 3.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4854 -3.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0786 -4.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 5.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9388 -0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7732 1.6978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 1.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0317 -0.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 -1.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4314 -1.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 -1.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 -2.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 -2.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -3.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 -3.4617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -2.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 2.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3461 1.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 2.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.6959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 0.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 1.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 2.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 0.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 -0.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2317 0.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 3.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2983 2.3378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8797 -3.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 -1.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 -3.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4431 -4.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0224 5.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2038 5.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8896 4.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 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 18 2 0 0 0 0 6 34 1 0 0 0 0 6 38 1 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 15 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 16 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 14 1 6 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 6 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 40 1 6 0 0 0 13 19 1 1 0 0 0 13 41 1 0 0 0 0 14 20 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 22 32 2 0 0 0 0 22 33 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 30 1 0 0 0 0 25 51 1 0 0 0 0 26 31 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 34 2 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 1 0 0 0 0 32 64 1 0 0 0 0 33 36 2 0 0 0 0 33 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 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 M END > 23641056 > 1 > 1000 > 6 > 0 > 6 > AAADcfB7OQAAAAAAAAAAAAAAAAAAAWLFgAAwYAAAAAAWLAABQAAAHwAAAAAADazBmA4zxoMABACIAiVSUACCCAAhIgAIiAGObIiMZjrE8buUMChsxzPI6Ced2+OeoAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (1S,2R,7S,8R)-10-tert-butyl-4-(3-fluorophenyl)-2-isobutyl-7-(4-methoxyphenyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-tert-butyl-4-(3-fluorophenyl)-7-(4-methoxyphenyl)-2-(2-methylpropyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-tert-butyl-4-(3-fluorophenyl)-7-(4-methoxyphenyl)-2-(2-methylpropyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-tert-butyl-4-(3-fluorophenyl)-7-(4-methoxyphenyl)-2-(2-methylpropyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-tert-butyl-4-(3-fluorophenyl)-7-(4-methoxyphenyl)-2-(2-methylpropyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-tert-butyl-4-(3-fluorophenyl)-2-isobutyl-7-(4-methoxyphenyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C29H32FN3O5/c1-16(2)15-29-22-21(24(34)33(25(22)35)28(3,4)5)23(17-10-12-20(38-6)13-11-17)32(29)27(37)31(26(29)36)19-9-7-8-18(30)14-19/h7-14,16,21-23H,15H2,1-6H3/t21-,22-,23-,29-/m1/s1 > XIGCGUWENKZAFH-PZNASWHRSA-N > 3.8 > 521.23259929 > C29H32FN3O5 > 521.6 > CC(C)CC12C3C(C(N1C(=O)N(C2=O)C4=CC(=CC=C4)F)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)F)C5=CC=C(C=C5)OC)C(=O)N(C3=O)C(C)(C)C > 87.2 > 521.23259929 > 0 > 38 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 6 11 39 6 12 40 6 13 19 5 19 25 8 19 26 8 22 32 8 22 33 8 25 30 8 26 31 8 30 34 8 31 34 8 32 35 8 33 36 8 35 37 8 36 37 8 $$$$