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0 0 0 0 0 0 0 6.3100 -0.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2439 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0006 -0.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0006 0.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1022 -3.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8518 -4.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 -2.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4413 1.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8946 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8946 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 2.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 -0.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3969 2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9308 3.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6194 3.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8864 3.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3281 3.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -0.1258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 0.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 0.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -0.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -1.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 -2.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 -2.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 -2.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 -2.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4801 0.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9355 -2.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8218 -2.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9177 0.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2274 0.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6178 1.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -4.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3738 -2.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6947 -3.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2849 -2.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2594 -3.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6691 -4.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 -4.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5986 -2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -3.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8874 -1.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8874 1.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3364 -0.9587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8514 1.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2119 3.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0243 4.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7865 3.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 5 28 1 0 0 0 0 5 68 1 0 0 0 0 6 32 1 0 0 0 0 6 39 1 0 0 0 0 7 28 2 0 0 0 0 8 36 1 0 0 0 0 8 39 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 10 18 1 0 0 0 0 10 22 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 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 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 6 0 0 0 17 22 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 24 1 0 0 0 0 20 29 1 0 0 0 0 20 54 1 6 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 55 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 56 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 29 32 2 0 0 0 0 29 34 1 0 0 0 0 30 33 2 0 0 0 0 30 64 1 0 0 0 0 31 35 2 0 0 0 0 31 65 1 0 0 0 0 32 36 1 0 0 0 0 33 35 1 0 0 0 0 33 66 1 0 0 0 0 34 37 2 0 0 0 0 34 67 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 M END > 70031129 > 1 > 926 > 7 > 1 > 6 > AAADcfB7OAAEAAAAAAAAAAAAAAAAASAAAAA8YIAABYAAAEgBQAAAHgIACAAADx7hmCcyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogfJz7Fs5+ncCpn5hHe6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 1-[2-[(3S,5R)-5-(1,3-benzodioxol-4-yl)-7-chloro-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(3S,5R)-5-(1,3-benzodioxol-4-yl)-7-chloro-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-3-piperidinecarboxylic acid > 1-[2-[(3S,5R)-5-(1,3-benzodioxol-4-yl)-7-chloro-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(3S,5R)-5-(1,3-benzodioxol-4-yl)-7-chloranyl-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]piperidine-3-carboxylic acid > 1-[2-[(3S,5R)-5-(1,3-benzodioxol-4-yl)-7-chloro-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetyl]nipecotic acid > InChI=1S/C29H33ClN2O7/c1-29(2,3)15-32-21-10-9-18(30)12-20(21)25(19-7-4-8-22-26(19)38-16-37-22)39-23(27(32)34)13-24(33)31-11-5-6-17(14-31)28(35)36/h4,7-10,12,17,23,25H,5-6,11,13-16H2,1-3H3,(H,35,36)/t17?,23-,25-/m0/s1 > USPNYRQDDYXHAN-FVLVVDFOSA-N > 4.1 > 556.197629 > C29H33ClN2O7 > 557.03452 > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCCC(C3)C(=O)O)C4=C5C(=CC=C4)OCO5 > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@@H](O[C@H](C1=O)CC(=O)N3CCCC(C3)C(=O)O)C4=C5C(=CC=C4)OCO5 > 106 > 556.197629 > 0 > 39 > 2 > 1 > 0 > 0 > 0 > 1 > 2 > 1 5 255 > 11 28 3 17 19 6 20 54 6 23 24 8 23 30 8 24 31 8 29 32 8 29 34 8 30 33 8 31 35 8 32 36 8 33 35 8 34 37 8 36 38 8 37 38 8 $$$$