50919373 -OEChem-06191312132D 64 67 0 1 0 0 0 0 0999 V2000 10.8865 4.6865 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.8063 -4.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 -3.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4387 -0.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -0.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 2.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0374 -1.5990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 1.6624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8564 0.1235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 4.6624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 -2.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2075 -3.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6252 -2.4081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2021 -3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8008 -4.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2185 -3.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4442 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 2.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 1.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 3.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 4.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 3.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 2.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1164 2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 4.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1164 4.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0224 3.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0224 4.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 -0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1770 -2.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4488 -1.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4597 -2.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8774 -1.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2669 -3.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2344 -3.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5486 -4.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3672 -4.2783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8187 -2.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1372 -2.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -1.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7551 1.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 2.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 2.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1092 2.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 4.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5541 -4.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 0.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1092 5.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 3.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5582 2.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 -0.4721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 -1.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7328 -1.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 2.1023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 1.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 1.1808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 16 1 0 0 0 0 2 54 1 0 0 0 0 3 16 2 0 0 0 0 4 19 2 0 0 0 0 5 26 1 0 0 0 0 5 36 1 0 0 0 0 6 33 1 0 0 0 0 6 37 1 0 0 0 0 13 7 1 1 0 0 0 7 19 1 0 0 0 0 7 48 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 17 1 0 0 0 0 9 18 2 0 0 0 0 10 24 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 49 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 31 1 0 0 0 0 25 29 2 0 0 0 0 25 50 1 0 0 0 0 26 30 1 0 0 0 0 27 32 2 0 0 0 0 27 51 1 0 0 0 0 28 34 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 33 2 0 0 0 0 30 55 1 0 0 0 0 31 35 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 M END > 50919373 > 1 > 788 > 7 > 2 > 9 > AAADceB7uAAEAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx/AAAHgIQCAAADS7BnyY/3vfMFgCoAzf3fACCiC03N6AJ2KG+ftiOb/rF+/uUdKhv1hfY6OeY8K4OJAAACAIKAABIAAAQBBQAAAAAAAAAAA== > (2S)-2-[[1-(7-chloro-4-quinolyl)-2-(2,4-dimethoxyphenyl)imidazole-4-carbonyl]amino]-4-methyl-pentanoic acid > (2S)-2-[[[1-(7-chloro-4-quinolinyl)-2-(2,4-dimethoxyphenyl)-4-imidazolyl]-oxomethyl]amino]-4-methylpentanoic acid > (2S)-2-[[1-(7-chloroquinolin-4-yl)-2-(2,4-dimethoxyphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid > (2S)-2-[[1-(7-chloranylquinolin-4-yl)-2-(2,4-dimethoxyphenyl)imidazol-4-yl]carbonylamino]-4-methyl-pentanoic acid > (2S)-2-[[1-(7-chloro-4-quinolyl)-2-(2,4-dimethoxyphenyl)imidazole-4-carbonyl]amino]-4-methyl-valeric acid > InChI=1S/C27H27ClN4O5/c1-15(2)11-21(27(34)35)31-26(33)22-14-32(23-9-10-29-20-12-16(28)5-7-18(20)23)25(30-22)19-8-6-17(36-3)13-24(19)37-4/h5-10,12-15,21H,11H2,1-4H3,(H,31,33)(H,34,35)/t21-/m0/s1 > MSSVRMZTTHGMIT-NRFANRHFSA-N > 5.1 > 522.166998 > C27H27ClN4O5 > 522.98008 > CC(C)CC(C(=O)O)NC(=O)C1=CN(C(=N1)C2=C(C=C(C=C2)OC)OC)C3=C4C=CC(=CC4=NC=C3)Cl > CC(C)C[C@@H](C(=O)O)NC(=O)C1=CN(C(=N1)C2=C(C=C(C=C2)OC)OC)C3=C4C=CC(=CC4=NC=C3)Cl > 116 > 522.166998 > 0 > 37 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 1 3 > 10 24 8 10 29 8 17 21 8 20 23 8 20 25 8 22 26 8 22 27 8 23 24 8 23 28 8 24 31 8 25 29 8 26 30 8 27 32 8 28 34 8 30 33 8 31 35 8 32 33 8 34 35 8 13 7 5 8 18 8 8 21 8 9 17 8 9 18 8 $$$$