49851096 -OEChem-04252401462D 81 85 0 0 0 0 0 0 0999 V2000 5.4050 -3.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 -0.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 5.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1992 3.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -3.5029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -2.0029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7352 2.9971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4672 3.9971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -4.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -5.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -6.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -5.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -4.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -5.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -4.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -6.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -6.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -3.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -1.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 -2.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 -1.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 -0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6012 2.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7352 3.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4672 2.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6012 4.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 2.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 1.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 4.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1992 5.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0653 6.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6992 6.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6992 5.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -6.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -6.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -5.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -5.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -4.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -4.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -5.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -4.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -5.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -7.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -7.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -6.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -6.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -6.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -7.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 -3.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 -1.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8681 -0.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 -2.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 0.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 -1.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2027 2.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9997 2.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 4.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1246 3.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6793 2.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0778 3.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9997 4.9720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 4.9720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6571 3.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2586 2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0812 0.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4797 1.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7910 1.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 0.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3753 5.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6022 6.8071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7553 7.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2362 7.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3892 7.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1623 6.5531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1623 4.8211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0092 4.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2362 5.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 25 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 33 2 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 5 53 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 54 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 30 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 33 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 38 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 39 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 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 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 55 1 0 0 0 0 22 24 2 0 0 0 0 22 56 1 0 0 0 0 23 25 2 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 26 28 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 29 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 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 M END > 49851096 > 1 > 755 > 5 > 2 > 9 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8YMGDAAAAAAABAAAAHgAQAAAADczhkAYzzoPABACIACRCWACCCAAhIgAIiAAObIiMZiLEsZueOCju1hPI6CewwMAOAEAAAAAAAAAAgASAAAAAAAAAAAAAAA== > tert-butyl 4-[3-[4-(1-adamantylcarbamoylamino)phenoxy]propyl]piperazine-1-carboxylate > 4-[3-[4-[[(1-adamantylamino)-oxomethyl]amino]phenoxy]propyl]-1-piperazinecarboxylic acid tert-butyl ester > tert-butyl 4-[3-[4-(1-adamantylcarbamoylamino)phenoxy]propyl]piperazine-1-carboxylate > tert-butyl 4-[3-[4-(1-adamantylcarbamoylamino)phenoxy]propyl]piperazine-1-carboxylate > tert-butyl 4-[3-[4-(1-adamantylcarbamoylamino)phenoxy]propyl]piperazine-1-carboxylate > 4-[3-[4-(1-adamantylcarbamoylamino)phenoxy]propyl]piperazine-1-carboxylic acid tert-butyl ester > InChI=1S/C29H44N4O4/c1-28(2,3)37-27(35)33-12-10-32(11-13-33)9-4-14-36-25-7-5-24(6-8-25)30-26(34)31-29-18-21-15-22(19-29)17-23(16-21)20-29/h5-8,21-23H,4,9-20H2,1-3H3,(H2,30,31,34) > QBHOJOZHMOMXHJ-UHFFFAOYSA-N > 4.6 > 512.33625590 > C29H44N4O4 > 512.7 > CC(C)(C)OC(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 > CC(C)(C)OC(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 > 83.1 > 512.33625590 > 0 > 37 > 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 $$$$