70244328 -OEChem-03292410542D 99102 0 1 0 0 0 0 0999 V2000 9.8203 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4184 10.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 8.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 12.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 8.8700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 11.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0882 3.6200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9542 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 7.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 9.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 7.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 7.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 8.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 10.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 9.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 10.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 5.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 10.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 10.1200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8203 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4184 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0882 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2222 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 14.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2222 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2222 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 14.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 14.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0882 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 15.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 15.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 16.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 8.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 8.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 7.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 7.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 7.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 8.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 8.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 10.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 10.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 9.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 5.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 5.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 6.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 8.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6853 9.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 11.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 11.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 5.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 5.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6853 10.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 10.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2232 10.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6082 10.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 9.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1494 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4173 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2232 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4173 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2232 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1663 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5648 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7422 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1083 10.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9553 10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7283 11.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0893 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5322 4.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6853 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9122 3.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9553 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6853 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6853 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2833 14.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0893 14.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4912 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0882 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2833 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0893 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6863 16.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 32 1 0 0 0 0 2 26 1 0 0 0 0 2 90 1 0 0 0 0 3 26 2 0 0 0 0 4 37 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 58 1 0 0 0 0 6 21 1 0 0 0 0 6 28 1 0 0 0 0 6 74 1 0 0 0 0 7 31 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 35 1 0 0 0 0 8 43 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 48 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 49 1 0 0 0 0 11 15 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 16 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 17 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 18 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 19 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 19 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 20 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 20 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 71 1 0 0 0 0 22 23 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 29 1 0 0 0 0 24 75 1 0 0 0 0 25 30 2 0 0 0 0 25 76 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 33 1 0 0 0 0 28 34 2 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 31 32 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 37 1 0 0 0 0 34 86 1 0 0 0 0 35 39 2 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 37 38 1 0 0 0 0 38 41 2 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 39 91 1 0 0 0 0 40 44 2 0 0 0 0 40 92 1 0 0 0 0 41 45 1 0 0 0 0 41 93 1 0 0 0 0 42 46 2 0 0 0 0 42 94 1 0 0 0 0 43 44 1 0 0 0 0 43 95 1 0 0 0 0 44 96 1 0 0 0 0 45 47 2 0 0 0 0 45 97 1 0 0 0 0 46 47 1 0 0 0 0 46 98 1 0 0 0 0 47 99 1 0 0 0 0 M END > 70244328 > 1 > 785 > 8 > 3 > 14 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAAAAAAA8YMGCAAAAAAAB0AAAHgAQCAAADCzhmgY/vpPIFgCoArb3bACCiCk1IiAJ2KG+bNiOJvLEvbuHeSjs0BPY6eeYyKCOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > N-cyclohexylcyclohexanamine;2-[[(Z)-1-methyl-3-oxo-3-phenyl-prop-1-enyl]amino]-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propanoic acid > N-cyclohexylcyclohexanamine;3-[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]-2-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid > N-cyclohexylcyclohexanamine;3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid > N-cyclohexylcyclohexanamine;3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid > N-cyclohexylcyclohexanamine;3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[(Z)-4-oxidanylidene-4-phenyl-but-2-en-2-yl]amino]propanoic acid > dicyclohexylamine;2-[[(Z)-3-keto-1-methyl-3-phenyl-prop-1-enyl]amino]-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propionic acid > InChI=1S/C27H29N3O4.C12H23N/c1-20(18-25(31)22-8-4-3-5-9-22)29-24(27(32)33)19-21-11-13-23(14-12-21)34-17-16-30(2)26-10-6-7-15-28-26;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-15,18,24,29H,16-17,19H2,1-2H3,(H,32,33);11-13H,1-10H2/b20-18-; > QACBXWKOMVOZLD-GQQUDWLYSA-N > 640.39885615 > C39H52N4O4 > 640.9 > CC(=CC(=O)C1=CC=CC=C1)NC(CC2=CC=C(C=C2)OCCN(C)C3=CC=CC=N3)C(=O)O.C1CCC(CC1)NC2CCCCC2 > C/C(=C/C(=O)C1=CC=CC=C1)/NC(CC2=CC=C(C=C2)OCCN(C)C3=CC=CC=N3)C(=O)O.C1CCC(CC1)NC2CCCCC2 > 104 > 640.39885615 > 0 > 47 > 0 > 1 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 21 22 3 23 24 8 23 25 8 24 29 8 25 30 8 27 29 8 27 30 8 35 39 8 38 41 8 38 42 8 39 40 8 40 44 8 41 45 8 42 46 8 43 44 8 45 47 8 46 47 8 8 35 8 8 43 8 $$$$