44147192 -OEChem-04232407152D 86 89 0 1 0 0 0 0 0999 V2000 14.1647 1.9209 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 1.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 2.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 -3.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8130 -0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 3.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6300 2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0750 4.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7623 -5.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 1.7628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7188 -0.2268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6466 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 0.8967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9413 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7188 2.0202 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5006 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5006 1.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3518 -3.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6022 -2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6910 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9413 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3946 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3946 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 1.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8969 3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1194 4.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4308 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7373 -4.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3864 4.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4175 -5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5855 2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2975 5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 3.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 3.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 1.5507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 1.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9801 1.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4356 -1.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3218 -1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7274 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4177 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2804 2.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8001 -2.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9775 -3.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4195 -3.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1947 -2.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 -1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8738 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0986 -1.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5083 -2.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3874 -0.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3874 2.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8364 0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6158 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9763 5.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5243 5.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 -5.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8392 -5.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8719 -5.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7683 2.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1780 3.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 3.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9020 5.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4355 6.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6931 5.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 23 2 0 0 0 0 4 28 1 0 0 0 0 4 41 1 0 0 0 0 5 24 2 0 0 0 0 6 31 1 0 0 0 0 6 75 1 0 0 0 0 7 31 2 0 0 0 0 8 37 1 0 0 0 0 8 44 1 0 0 0 0 9 39 1 0 0 0 0 9 45 1 0 0 0 0 10 41 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 23 1 0 0 0 0 12 21 1 0 0 0 0 12 24 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 31 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 22 1 1 0 0 0 20 24 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 25 62 1 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 34 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 33 35 2 0 0 0 0 33 71 1 0 0 0 0 34 36 2 0 0 0 0 34 72 1 0 0 0 0 35 36 1 0 0 0 0 35 73 1 0 0 0 0 37 39 1 0 0 0 0 38 40 2 0 0 0 0 38 74 1 0 0 0 0 39 42 2 0 0 0 0 40 42 1 0 0 0 0 40 76 1 0 0 0 0 41 43 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 M END > 44147192 > 1 > 1050 > 9 > 1 > 12 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIACAAADx7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPJzbFs5+HcCpn5hHa6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 2-[1-[2-[(3R)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-4-piperidyl]acetic acid > 2-[1-[2-[(3R)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-4-piperidinyl]acetic acid > 2-[1-[2-[(3R)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid > 2-[1-[2-[(3R)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid > 2-[1-[2-[(3R)-1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]piperidin-4-yl]ethanoic acid > 2-[1-[2-[(3R)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]-4-piperidyl]acetic acid > InChI=1S/C33H41ClN2O9/c1-20(37)44-19-33(2,3)18-36-25-10-9-22(34)16-24(25)30(23-7-6-8-26(42-4)31(23)43-5)45-27(32(36)41)17-28(38)35-13-11-21(12-14-35)15-29(39)40/h6-10,16,21,27,30H,11-15,17-19H2,1-5H3,(H,39,40)/t27-,30?/m1/s1 > CMLUGNQVANVZHY-NHQUYOMTSA-N > 3.8 > 644.2500586 > C33H41ClN2O9 > 645.1 > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC > 132 > 644.2500586 > 0 > 45 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 22 5 25 32 3 26 27 8 26 33 8 27 34 8 32 37 8 32 38 8 33 35 8 34 36 8 35 36 8 37 39 8 38 40 8 39 42 8 40 42 8 $$$$