49851098 -OEChem-04182402422D 84 88 0 0 0 0 0 0 0999 V2000 5.4050 -0.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7973 2.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9313 3.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.5699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.9301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 1.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0653 2.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -3.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -3.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -3.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -3.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -3.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3332 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4672 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0653 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6012 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7352 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9313 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6634 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1634 2.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1634 3.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -3.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -4.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -2.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -2.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -1.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -1.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -2.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -1.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -2.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -4.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -4.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -3.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -3.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -4.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 -0.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 1.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 0.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8681 2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 3.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8007 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5978 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 3.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7227 2.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8657 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2773 0.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6759 1.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5978 3.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8007 3.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9997 1.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2027 1.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2677 1.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4706 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3366 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8394 2.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0663 3.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2194 3.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6264 1.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4734 1.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7003 2.3741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7003 4.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8534 4.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6264 3.4862 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 34 1 0 0 0 0 3 35 1 0 0 0 0 4 34 2 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 5 54 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 55 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 34 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 39 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 40 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 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 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 56 1 0 0 0 0 22 24 2 0 0 0 0 22 57 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 26 29 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 30 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 32 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 33 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 33 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 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 38 82 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 M END > 49851098 > 1 > 778 > 5 > 2 > 10 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8YMGDAAAAAAABAAAAHgAQAAAADczhkAYzzoPABACIACRCWACCCAAhIgAIiAAObIiMZiLEsZueOCju1hvI6Cew0MMOAAAAAgAAAAAAAASEAAAAAAAAAAAAAA== > tert-butyl 4-[4-[3-(1-adamantylcarbamoylamino)phenoxy]butyl]piperazine-1-carboxylate > 4-[4-[3-[[(1-adamantylamino)-oxomethyl]amino]phenoxy]butyl]-1-piperazinecarboxylic acid tert-butyl ester > tert-butyl 4-[4-[3-(1-adamantylcarbamoylamino)phenoxy]butyl]piperazine-1-carboxylate > tert-butyl 4-[4-[3-(1-adamantylcarbamoylamino)phenoxy]butyl]piperazine-1-carboxylate > tert-butyl 4-[4-[3-(1-adamantylcarbamoylamino)phenoxy]butyl]piperazine-1-carboxylate > 4-[4-[3-(1-adamantylcarbamoylamino)phenoxy]butyl]piperazine-1-carboxylic acid tert-butyl ester > InChI=1S/C30H46N4O4/c1-29(2,3)38-28(36)34-12-10-33(11-13-34)9-4-5-14-37-26-8-6-7-25(18-26)31-27(35)32-30-19-22-15-23(20-30)17-24(16-22)21-30/h6-8,18,22-24H,4-5,9-17,19-21H2,1-3H3,(H2,31,32,35) > ACVBHAXUSHPNLT-UHFFFAOYSA-N > 5 > 526.35190596 > C30H46N4O4 > 526.7 > CC(C)(C)OC(=O)N1CCN(CC1)CCCCOC2=CC=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 > CC(C)(C)OC(=O)N1CCN(CC1)CCCCOC2=CC=CC(=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4 > 83.1 > 526.35190596 > 0 > 38 > 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 $$$$