22997305 -OEChem-04192420272D 77 80 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 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 2.6200 -0.3141 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 0 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 1.4179 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 9.9566 -3.3681 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 10.2513 -2.4125 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 7.1200 0.5519 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 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 3.1200 0.5519 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 12.6107 0.2067 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 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 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 6.2026 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 2.0285 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 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 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 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 8.9258 2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4179 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 33 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 28 1 0 0 0 0 5 69 1 0 0 0 0 6 28 2 0 0 0 0 7 34 1 0 0 0 0 7 39 1 0 0 0 0 8 36 1 0 0 0 0 8 40 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 18 1 0 0 0 0 10 21 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 32 2 0 0 0 0 30 65 1 0 0 0 0 31 33 2 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 34 36 1 0 0 0 0 35 37 2 0 0 0 0 35 68 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 M END > 22997305 > 1 > 903 > 7 > 1 > 8 > AAADcfB7OAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIACAAADx7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPJzbFs5+HcCpn5hHa6Af10PMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-carboxylic acid > 1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-4-piperidinecarboxylic acid > 1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-carboxylic acid > 1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-carboxylic acid > 1-[2-[7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]piperidine-4-carboxylic acid > 1-[2-[7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetyl]isonipecotic acid > InChI=1S/C30H37ClN2O7/c1-30(2,3)17-33-22-10-9-19(31)15-21(22)26(20-7-6-8-23(38-4)27(20)39-5)40-24(28(33)35)16-25(34)32-13-11-18(12-14-32)29(36)37/h6-10,15,18,24,26H,11-14,16-17H2,1-5H3,(H,36,37) > ATXATDDRWZKRSO-UHFFFAOYSA-N > 4.2 > 572.2289292 > C30H37ClN2O7 > 573.1 > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)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(CC3)C(=O)O)C4=C(C(=CC=C4)OC)OC > 106 > 572.2289292 > 0 > 40 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 19 3 22 29 3 23 24 8 23 30 8 24 31 8 29 34 8 29 35 8 30 32 8 31 33 8 32 33 8 34 36 8 35 37 8 36 38 8 37 38 8 $$$$