24792594 -OEChem-04242414422D 85 89 0 1 0 0 0 0 0999 V2000 4.5390 -0.8199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 1.1801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 2.1801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -3.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -4.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -5.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -4.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -3.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -4.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -3.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -5.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -5.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -0.3199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4050 0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 -0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 2.1801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6730 3.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 4.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 4.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 2.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 5.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 5.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 5.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 -0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 2.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -4.9509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -5.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -4.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -3.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -3.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -3.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -4.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -3.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -3.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -6.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -6.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -5.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -5.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -4.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -5.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -1.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 -2.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7511 -2.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1496 -1.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 -0.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -0.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0156 0.5725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6171 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8725 -1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6696 -1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 1.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2099 3.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 2.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 2.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 3.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1496 4.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 4.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 3.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1496 5.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 5.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 5.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 5.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8036 3.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0065 3.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 6.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 6.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 -1.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6002 0.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 1.5601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 -0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 1.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 0.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4471 2.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 2.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8271 3.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 16 1 1 6 0 0 0 1 54 1 0 0 0 0 2 17 1 0 0 0 0 19 2 1 1 0 0 0 2 60 1 0 0 0 0 3 25 1 0 0 0 0 3 34 1 0 0 0 0 3 79 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 35 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 36 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 22 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 62 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 23 26 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 27 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 26 28 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 31 1 0 0 0 0 29 77 1 0 0 0 0 30 32 2 0 0 0 0 30 78 1 0 0 0 0 31 33 2 0 0 0 0 31 80 1 0 0 0 0 32 33 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 M END > 24792594 > 1 > 550 > 3 > 3 > 13 > AAADcfB7AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAAABAAAAHAAQAAAADyjBGAQyAILAAACAAiBCAAACAAAgAAAIiIAIAIgIYCKAkRGUIAAgkACIiAcQgMAPAAAAAAAAAAAAAAQAAAAAAAAAAAAAAA== > (2S)-N2-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenyl-propyl]-3-cyclohexyl-N1-methyl-propane-1,2-diamine > (2S)-N2-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-N1-methylpropane-1,2-diamine > (2S)-2-N-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-1-N-methylpropane-1,2-diamine > (2S)-2-N-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenylpropyl]-3-cyclohexyl-1-N-methylpropane-1,2-diamine > (2S)-N2-[(2S)-2-[2-(1-adamantyl)ethylamino]-3-phenyl-propyl]-3-cyclohexyl-N1-methyl-propane-1,2-diamine > 2-(1-adamantyl)ethyl-[(1S)-1-benzyl-2-[[(1S)-1-(cyclohexylmethyl)-2-(methylamino)ethyl]amino]ethyl]amine > InChI=1S/C31H51N3/c1-32-22-29(17-24-8-4-2-5-9-24)34-23-30(18-25-10-6-3-7-11-25)33-13-12-31-19-26-14-27(20-31)16-28(15-26)21-31/h3,6-7,10-11,24,26-30,32-34H,2,4-5,8-9,12-23H2,1H3/t26?,27?,28?,29-,30-,31?/m0/s1 > GQKCBYFGTYNZCM-XGGBRTKESA-N > 7.9 > 465.40829864 > C31H51N3 > 465.8 > CNCC(CC1CCCCC1)NCC(CC2=CC=CC=C2)NCCC34CC5CC(C3)CC(C5)C4 > CNC[C@H](CC1CCCCC1)NC[C@H](CC2=CC=CC=C2)NCCC34CC5CC(C3)CC(C5)C4 > 36.1 > 465.40829864 > 0 > 34 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 1 6 19 2 5 22 29 8 22 30 8 29 31 8 30 32 8 31 33 8 32 33 8 $$$$