49851178 -OEChem-03282408262D 87 91 0 0 0 0 0 0 0999 V2000 5.4050 -0.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 1.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6634 0.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7974 -1.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.0699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 1.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 1.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9313 0.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -2.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0653 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0653 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9313 1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4672 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7352 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6012 1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7974 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 -0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3954 -0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0294 0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0294 -0.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -2.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -3.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -2.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -1.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -0.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -1.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -2.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -0.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -1.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -3.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -3.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -3.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -3.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 0.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 1.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 0.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8681 3.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 4.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 3.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5887 0.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9872 -0.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4638 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6668 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7318 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9347 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6668 -0.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4638 -0.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5419 1.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1434 2.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2677 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4706 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8657 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9997 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2027 2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3366 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0854 -1.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9324 -0.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7054 -0.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5663 0.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3394 1.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4925 1.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4925 -0.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7194 -1.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5663 -1.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 23 1 0 0 0 0 2 31 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 35 2 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 5 55 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 56 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 35 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 40 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 41 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 57 1 0 0 0 0 22 24 2 0 0 0 0 22 58 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 26 29 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 30 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 32 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 33 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 34 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 M END > 49851178 > 1 > 794 > 5 > 2 > 11 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8YMGDAAAAAAABAAAAHgAQAAAADczhkAYzzoPABACIACRCWACCCAAhIgAIiAAObIiMZiLEsZueOCju1hvI6CeQ0MMOAAAAAgAAAAAAAASEAAAAAAAAAAAAAA== > tert-butyl 4-[5-[3-(1-adamantylcarbamoylamino)phenoxy]pentyl]piperazine-1-carboxylate > 4-[5-[3-[[(1-adamantylamino)-oxomethyl]amino]phenoxy]pentyl]-1-piperazinecarboxylic acid tert-butyl ester > tert-butyl 4-[5-[3-(1-adamantylcarbamoylamino)phenoxy]pentyl]piperazine-1-carboxylate > tert-butyl 4-[5-[3-(1-adamantylcarbamoylamino)phenoxy]pentyl]piperazine-1-carboxylate > tert-butyl 4-[5-[3-(1-adamantylcarbamoylamino)phenoxy]pentyl]piperazine-1-carboxylate > 4-[5-[3-(1-adamantylcarbamoylamino)phenoxy]pentyl]piperazine-1-carboxylic acid tert-butyl ester > InChI=1S/C31H48N4O4/c1-30(2,3)39-29(37)35-13-11-34(12-14-35)10-5-4-6-15-38-27-9-7-8-26(19-27)32-28(36)33-31-20-23-16-24(21-31)18-25(17-23)22-31/h7-9,19,23-25H,4-6,10-18,20-22H2,1-3H3,(H2,32,33,36) > FDDMWKKKEUOHTA-UHFFFAOYSA-N > 5.3 > 540.36755603 > C31H48N4O4 > 540.7 > CC(C)(C)OC(=O)N1CCN(CC1)CCCCCOC2=CC=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 > CC(C)(C)OC(=O)N1CCN(CC1)CCCCCOC2=CC=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 > 83.1 > 540.36755603 > 0 > 39 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 21 8 20 22 8 21 23 8 22 24 8 23 25 8 24 25 8 $$$$