24792600 -OEChem-04262415372D 73 74 0 1 0 0 0 0 0999 V2000 8.7942 4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 11 4 1 6 0 0 0 4 16 1 0 0 0 0 4 46 1 0 0 0 0 17 5 1 1 0 0 0 5 20 1 0 0 0 0 5 55 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 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 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 20 24 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 70 1 0 0 0 0 27 29 2 0 0 0 0 27 71 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 M END > 24792600 > 1 > 463 > 6 > 3 > 13 > AAADcfB7AYAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABAAAAHQAQAAAADSjBGBQyAILAAACAAiBCAAACAAAgAAAIiIAIAIgIYCKAkRGUIAAgkACIiAcQgMAOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > (2S)-N1-[(1R)-1-(cyclohexylmethyl)-2-(methylamino)ethyl]-4-methyl-N2-[2-[3-(trifluoromethyl)phenyl]ethyl]pentane-1,2-diamine > (2S)-N1-[(2R)-1-cyclohexyl-3-(methylamino)propan-2-yl]-4-methyl-N2-[2-[3-(trifluoromethyl)phenyl]ethyl]pentane-1,2-diamine > (2S)-1-N-[(2R)-1-cyclohexyl-3-(methylamino)propan-2-yl]-4-methyl-2-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pentane-1,2-diamine > (2S)-1-N-[(2R)-1-cyclohexyl-3-(methylamino)propan-2-yl]-4-methyl-2-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pentane-1,2-diamine > (2S)-N1-[(2R)-1-cyclohexyl-3-(methylamino)propan-2-yl]-4-methyl-N2-[2-[3-(trifluoromethyl)phenyl]ethyl]pentane-1,2-diamine > [(1R)-1-(cyclohexylmethyl)-2-(methylamino)ethyl]-[(2S)-4-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]pentyl]amine > InChI=1S/C25H42F3N3/c1-19(2)14-23(18-31-24(17-29-3)16-20-8-5-4-6-9-20)30-13-12-21-10-7-11-22(15-21)25(26,27)28/h7,10-11,15,19-20,23-24,29-31H,4-6,8-9,12-14,16-18H2,1-3H3/t23-,24+/m0/s1 > AHJHRBOTDGSVSL-BJKOFHAPSA-N > 6.7 > 441.33308284 > C25H42F3N3 > 441.6 > CC(C)CC(CNC(CC1CCCCC1)CNC)NCCC2=CC(=CC=C2)C(F)(F)F > CC(C)C[C@@H](CN[C@H](CC1CCCCC1)CNC)NCCC2=CC(=CC=C2)C(F)(F)F > 36.1 > 441.33308284 > 0 > 31 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 11 4 6 17 5 5 $$$$