72946667 -OEChem-05112402172D 76 82 0 1 0 0 0 0 0999 V2000 8.3720 -4.1692 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 2.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 2.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6305 2.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4464 1.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7543 3.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1822 0.8355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 1.9131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2122 0.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1002 -1.9289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 1.0943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9575 2.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8893 1.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8552 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 0.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4711 1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8416 -0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1004 2.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4832 -1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8293 -0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 1.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7420 3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 -1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4586 -0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7174 2.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3713 3.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3590 3.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7543 -3.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0712 -2.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7267 -3.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4341 0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3959 4.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -0.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 0.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -1.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -0.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 0.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -0.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 0.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 0.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -2.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -1.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -1.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -0.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -1.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 1.5327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3427 0.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 3.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 -0.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0514 0.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 -0.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0709 -0.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3298 2.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1491 4.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7492 4.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1500 -3.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4585 -2.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3371 0.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0465 0.8022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5311 1.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9748 4.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1738 4.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8171 3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 22 1 0 0 0 0 2 61 1 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 5 31 1 0 0 0 0 5 42 1 0 0 0 0 6 32 1 0 0 0 0 6 43 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 7 60 1 0 0 0 0 8 24 1 0 0 0 0 8 26 2 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 33 2 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 45 1 0 0 0 0 13 21 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 62 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 30 35 2 0 0 0 0 30 63 1 0 0 0 0 31 36 1 0 0 0 0 32 37 2 0 0 0 0 33 39 1 0 0 0 0 34 40 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 38 2 0 0 0 0 36 66 1 0 0 0 0 37 38 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 39 41 2 0 0 0 0 39 69 1 0 0 0 0 40 41 1 0 0 0 0 40 70 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 M END > 72946667 > 1 > 993 > 7 > 2 > 8 > AAADcfB/uAAEAAAAAAAAAAAAAAAAAWAAAAA8YMGDAAAAAACx/AAAHgIQCAAADS7BnyY/3vfMFgCoAzf3fACCiC03N6AJ2KG+ftiOb/rF+/uUdKhv1hfY6OeY6OyOhAAACAIKAACIAAQQBDQAAAAAAAAAAA== > 2-(2-adamantyl)-2-[[1-(7-chloro-4-quinolyl)-2-(2,6-dimethoxyphenyl)imidazole-4-carbonyl]amino]acetic acid > 2-(2-adamantyl)-2-[[[1-(7-chloro-4-quinolinyl)-2-(2,6-dimethoxyphenyl)-4-imidazolyl]-oxomethyl]amino]acetic acid > 2-(2-adamantyl)-2-[[1-(7-chloroquinolin-4-yl)-2-(2,6-dimethoxyphenyl)imidazole-4-carbonyl]amino]acetic acid > 2-(2-adamantyl)-2-[[1-(7-chloroquinolin-4-yl)-2-(2,6-dimethoxyphenyl)imidazole-4-carbonyl]amino]acetic acid > 2-(2-adamantyl)-2-[[1-(7-chloranylquinolin-4-yl)-2-(2,6-dimethoxyphenyl)imidazol-4-yl]carbonylamino]ethanoic acid > 2-(2-adamantyl)-2-[[1-(7-chloro-4-quinolyl)-2-(2,6-dimethoxyphenyl)imidazole-4-carbonyl]amino]acetic acid > InChI=1S/C33H33ClN4O5/c1-42-26-4-3-5-27(43-2)29(26)31-36-24(16-38(31)25-8-9-35-23-15-21(34)6-7-22(23)25)32(39)37-30(33(40)41)28-19-11-17-10-18(13-19)14-20(28)12-17/h3-9,15-20,28,30H,10-14H2,1-2H3,(H,37,39)(H,40,41) > NQOMQCQXEWTTBR-UHFFFAOYSA-N > 6.7 > 600.2139479 > C33H33ClN4O5 > 601.1 > COC1=C(C(=CC=C1)OC)C2=NC(=CN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NC(C5C6CC7CC(C6)CC5C7)C(=O)O > COC1=C(C(=CC=C1)OC)C2=NC(=CN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NC(C5C6CC7CC(C6)CC5C7)C(=O)O > 116 > 600.2139479 > 0 > 43 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 33 8 10 35 8 21 22 3 24 25 8 27 29 8 27 30 8 28 31 8 28 32 8 29 33 8 29 34 8 30 35 8 31 36 8 32 37 8 33 39 8 34 40 8 36 38 8 37 38 8 39 41 8 40 41 8 8 24 8 8 26 8 9 25 8 9 26 8 $$$$