70029354 -OEChem-05211303062D 78 81 0 1 0 0 0 0 0999 V2000 13.4747 0.4611 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0539 0.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9400 1.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3850 3.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0288 -1.6866 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1200 -1.4291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -0.5631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0539 -1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5183 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2513 -2.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -2.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -2.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8106 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0288 0.5604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8106 -0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7852 -4.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1985 -4.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8381 -2.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2513 1.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7046 -1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7046 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6107 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6107 -0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2069 1.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5183 2.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4294 2.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7408 3.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6964 3.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8955 1.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6075 4.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2901 -0.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4494 -1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0539 -2.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5877 -3.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8226 -2.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -0.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 0.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0374 -0.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 0.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 -0.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 -2.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 -2.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2026 -0.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 0.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 -2.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2026 -2.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4278 1.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2926 -2.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4164 -2.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3836 -3.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7440 -4.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6202 -4.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6529 -3.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3635 -3.5673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3307 -4.4435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2069 -4.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 -2.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 1.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1464 -1.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9258 2.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2863 3.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8343 4.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0783 0.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4880 1.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7128 2.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 3.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7455 4.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0031 4.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 10 1 0 0 0 0 2 21 1 0 0 0 0 3 23 2 0 0 0 0 4 29 1 0 0 0 0 4 71 1 0 0 0 0 5 29 2 0 0 0 0 6 33 1 0 0 0 0 6 38 1 0 0 0 0 7 35 1 0 0 0 0 7 39 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 6 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 14 45 1 0 0 0 0 15 23 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 56 1 6 0 0 0 22 30 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 33 2 0 0 0 0 27 34 1 0 0 0 0 28 31 2 0 0 0 0 28 66 1 0 0 0 0 30 32 2 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 68 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 34 69 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 M END > 70029354 > 1 > 829 > 7 > 1 > 8 > AAADcfB7OAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIACAAADx7hmCYyzoMABgCIAiXSWACCCAAhJwAIiAEO7ogPJzbFs5uHcCpn5hHa6Af00PMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 1-[2-[(3S,5R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-carboxylic acid > 1-[2-[(3S,5R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-4-piperidinecarboxylic acid > 1-[2-[(3S,5R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-carboxylic acid > 1-[2-[(3S,5R)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]ethanoyl]piperidine-4-carboxylic acid > 1-[2-[(3S,5R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-neopentyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]acetyl]isonipecotic acid > InChI=1S/C30H39ClN2O6/c1-30(2,3)18-33-17-21(16-26(34)32-13-11-19(12-14-32)29(35)36)39-27(23-15-20(31)9-10-24(23)33)22-7-6-8-25(37-4)28(22)38-5/h6-10,15,19,21,27H,11-14,16-18H2,1-5H3,(H,35,36)/t21-,27-/m0/s1 > MINFAWHZBCFAMS-IDISGSTGSA-N > 5 > 558.249665 > C30H39ClN2O6 > 559.09346 > CC(C)(C)CN1CC(OC(C2=C1C=CC(=C2)Cl)C3=C(C(=CC=C3)OC)OC)CC(=O)N4CCC(CC4)C(=O)O > CC(C)(C)CN1C[C@@H](O[C@H](C2=C1C=CC(=C2)Cl)C3=C(C(=CC=C3)OC)OC)CC(=O)N4CCC(CC4)C(=O)O > 88.5 > 558.249665 > 0 > 39 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 15 6 20 22 8 20 28 8 21 56 6 22 30 8 27 33 8 27 34 8 28 31 8 30 32 8 31 32 8 33 35 8 34 36 8 35 37 8 36 37 8 $$$$