70030521 -OEChem-04252402572D 75 79 0 1 0 0 0 0 0999 V2000 12.6647 0.7921 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2439 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -1.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6204 -1.9149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7178 2.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1782 4.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -1.0981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 -1.3556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -0.2321 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8100 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1466 -3.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 -0.2321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4413 -2.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 0.8914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3100 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2439 -1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0006 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0006 0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1022 -3.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8518 -4.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 -2.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4413 1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8946 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8946 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 2.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 -0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3969 2.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9308 3.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6194 3.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8864 3.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9488 2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1806 3.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -0.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 -0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -0.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -1.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 -2.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 -2.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 -2.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 -2.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4801 0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9355 -2.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8218 -2.3073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9177 0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2274 -0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6178 1.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -4.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6947 -3.7635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2849 -2.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2594 -4.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6691 -4.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 -4.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3738 -2.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5986 -2.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -3.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8874 -1.8867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8874 1.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8514 1.7394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3364 -1.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2119 3.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0243 4.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3768 3.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 2.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1066 4.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 3.9748 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 69 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 40 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 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 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 6 0 0 0 17 22 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 21 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 24 1 0 0 0 0 20 29 1 0 0 0 0 20 55 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 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 32 2 0 0 0 0 29 34 1 0 0 0 0 30 33 2 0 0 0 0 30 65 1 0 0 0 0 31 35 2 0 0 0 0 31 66 1 0 0 0 0 32 36 1 0 0 0 0 33 35 1 0 0 0 0 33 68 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 70 1 0 0 0 0 38 71 1 0 0 0 0 39 40 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 M END > 70030521 > 1 > 942 > 7 > 1 > 6 > AAADcfB7OAAEAAAAAAAAAAAAAAAAAAAAAAA8aIEABYAAAACRQAAAHgIACAAADx7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPJz7Fs5+HeCrn5hHa6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 1-[2-[(3S,5R)-7-chloro-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(3S,5R)-7-chloro-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-3-piperidinecarboxylic acid > 1-[2-[(3S,5R)-7-chloro-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(3S,5R)-7-chloro-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(3S,5R)-7-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]piperidine-3-carboxylic acid > 1-[2-[(3S,5R)-7-chloro-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetyl]nipecotic acid > InChI=1S/C30H35ClN2O7/c1-30(2,3)17-33-22-10-9-19(31)14-21(22)26(20-7-4-8-23-27(20)39-13-12-38-23)40-24(28(33)35)15-25(34)32-11-5-6-18(16-32)29(36)37/h4,7-10,14,18,24,26H,5-6,11-13,15-17H2,1-3H3,(H,36,37)/t18?,24-,26-/m0/s1 > HMBHHRXXOMQWMT-FVKAUKPSSA-N > 4 > 570.2132792 > C30H35ClN2O7 > 571.1 > 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)OCCO5 > 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)OCCO5 > 106 > 570.2132792 > 0 > 40 > 2 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 28 3 17 19 6 20 55 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 $$$$