70029239 -OEChem-04262401472D 80 83 0 1 0 0 0 0 0999 V2000 13.4747 0.7100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0539 0.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.3141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4304 -1.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9400 1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3850 3.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 0.5519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0288 -1.4376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 0.5519 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6200 1.4179 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6200 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -0.3141 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1200 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9566 -3.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2513 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0539 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0288 0.8094 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1200 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 2.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8106 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8106 0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6618 -4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9122 -3.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2513 1.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7046 -1.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7046 0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6107 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2069 2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6107 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5183 2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4294 3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7408 3.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6964 3.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8955 1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6075 4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2400 1.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 2.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2026 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2901 0.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0374 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7456 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6318 -2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5904 1.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0694 -4.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4791 -4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2543 -4.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7295 -4.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5047 -3.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0949 -3.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1838 -2.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4086 -2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8183 -3.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 -1.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 1.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1464 -1.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 3.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9258 2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2863 3.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8343 4.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0783 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4880 1.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7128 2.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 4.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7455 4.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0031 4.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 18 1 0 0 0 0 2 24 1 0 0 0 0 3 19 2 0 0 0 0 4 25 1 0 0 0 0 4 70 1 0 0 0 0 5 26 1 0 0 0 0 5 71 1 0 0 0 0 6 23 2 0 0 0 0 7 25 2 0 0 0 0 8 26 2 0 0 0 0 9 36 1 0 0 0 0 9 42 1 0 0 0 0 10 39 1 0 0 0 0 10 43 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 24 28 1 0 0 0 0 24 32 1 0 0 0 0 24 57 1 0 0 0 0 27 28 2 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 36 2 0 0 0 0 32 38 1 0 0 0 0 33 35 2 0 0 0 0 33 67 1 0 0 0 0 34 37 2 0 0 0 0 34 68 1 0 0 0 0 35 37 1 0 0 0 0 35 69 1 0 0 0 0 36 39 1 0 0 0 0 38 40 2 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 40 41 1 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 M END > 70029239 > 1 > 1040 > 9 > 2 > 9 > AAADcfB7PAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIACAAADz7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAHO7ogPJzbFs7+HcCpn5hHa6Af9/vMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-2,4-dicarboxylic acid > 1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]piperidine-2,4-dicarboxylic acid > 1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-2,4-dicarboxylic acid > 1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-2,4-dicarboxylic acid > 1-[2-[7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]piperidine-2,4-dicarboxylic acid > 1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-2,4-dicarboxylic acid > InChI=1S/C31H37ClN2O9/c1-31(2,3)16-34-21-10-9-18(32)14-20(21)26(19-7-6-8-23(41-4)27(19)42-5)43-24(28(34)36)15-25(35)33-12-11-17(29(37)38)13-22(33)30(39)40/h6-10,14,17,22,24,26H,11-13,15-16H2,1-5H3,(H,37,38)(H,39,40) > IRNDXANDWGOPFR-UHFFFAOYSA-N > 3.8 > 616.2187585 > C31H37ClN2O9 > 617.1 > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3C(=O)O)C(=O)O)C4=C(C(=CC=C4)OC)OC > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3C(=O)O)C(=O)O)C4=C(C(=CC=C4)OC)OC > 143 > 616.2187585 > 0 > 43 > 0 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 25 3 14 26 3 18 20 3 24 32 3 27 28 8 27 33 8 28 34 8 32 36 8 32 38 8 33 35 8 34 37 8 35 37 8 36 39 8 38 40 8 39 41 8 40 41 8 $$$$