70029842 -OEChem-05072415022D 76 80 0 1 0 0 0 0 0999 V2000 12.6647 1.0405 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2439 0.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6204 -1.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -1.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3247 -4.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7178 2.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1782 4.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -0.8497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 -1.1071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.0164 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1466 -3.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4413 -2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -1.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 0.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8100 0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 1.1398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2439 -0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0006 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0006 0.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1022 -3.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8518 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 -2.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4413 2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8946 -1.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8946 1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7083 2.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 -0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3969 2.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9308 3.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6194 3.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8864 4.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9488 3.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1806 4.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 0.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 0.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 0.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -0.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -1.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9355 -2.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8218 -2.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 -2.3263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 -1.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 -1.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 -2.3263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4801 0.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9177 0.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2274 0.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6178 1.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7215 -3.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1793 -2.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2594 -3.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6691 -4.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4443 -4.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3738 -2.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5986 -2.5601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -3.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8874 -1.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8874 1.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3364 -0.8165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8514 1.9878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9171 -4.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2119 3.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0243 4.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3768 3.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 2.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1066 4.8063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 4.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 5 26 1 0 0 0 0 5 69 1 0 0 0 0 6 30 1 0 0 0 0 6 70 1 0 0 0 0 7 33 1 0 0 0 0 7 40 1 0 0 0 0 8 30 2 0 0 0 0 9 37 1 0 0 0 0 9 41 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 23 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 6 0 0 0 19 22 1 0 0 0 0 19 53 1 0 0 0 0 20 23 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 21 56 1 6 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 33 2 0 0 0 0 29 35 1 0 0 0 0 31 34 2 0 0 0 0 31 65 1 0 0 0 0 32 36 2 0 0 0 0 32 66 1 0 0 0 0 33 37 1 0 0 0 0 34 36 1 0 0 0 0 34 67 1 0 0 0 0 35 38 2 0 0 0 0 35 68 1 0 0 0 0 37 39 2 0 0 0 0 38 39 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 40 41 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 M END > 70029842 > 1 > 965 > 8 > 2 > 7 > AAADcfB7PAAEAAAAAAAAAAAAAAAAAAAAAAA8aIEABYAAAACRQAAAHgIACAAADx7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPNz7Fs5+HeCrn5hHa6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 1-[2-[(3S,5R)-7-chloro-5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(3-hydroxy-2,2-dimethyl-propyl)-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-(3-hydroxy-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-(3-hydroxy-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-(3-hydroxy-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-dimethyl-3-oxidanyl-propyl)-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)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]nipecotic acid > InChI=1S/C30H35ClN2O8/c1-30(2,17-34)16-33-22-9-8-19(31)13-21(22)26(20-6-3-7-23-27(20)40-12-11-39-23)41-24(28(33)36)14-25(35)32-10-4-5-18(15-32)29(37)38/h3,6-9,13,18,24,26,34H,4-5,10-12,14-17H2,1-2H3,(H,37,38)/t18?,24-,26-/m0/s1 > MBNLTGBYVMEWHB-FVKAUKPSSA-N > 2.8 > 586.2081938 > C30H35ClN2O8 > 587.1 > CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCCC(C3)C(=O)O)C4=C5C(=CC=C4)OCCO5)CO > CC(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)CO > 126 > 586.2081938 > 0 > 41 > 2 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 30 3 19 20 6 21 56 6 24 25 8 24 31 8 25 32 8 29 33 8 29 35 8 31 34 8 32 36 8 33 37 8 34 36 8 35 38 8 37 39 8 38 39 8 $$$$