71022018 -OEChem-04232408212D 87 90 0 1 0 0 0 0 0999 V2000 15.3547 1.3728 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.9339 1.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 2.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3104 -1.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2220 -4.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8200 2.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2650 4.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.2147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9088 -0.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8366 -2.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.3486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0000 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9339 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9088 1.4721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6906 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5418 -3.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7922 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8810 -2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5846 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5846 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0869 2.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3983 3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3094 3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 4.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5764 4.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7755 2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4875 4.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 1.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9174 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9174 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0826 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3923 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3923 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0826 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 1.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1701 0.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 -2.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5118 -1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4704 1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9901 -3.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1675 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6095 -3.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3847 -3.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9749 -2.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0638 -1.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2885 -2.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6983 -3.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5774 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5774 2.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0264 -0.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8058 2.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0393 -4.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 3.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 3.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1663 4.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7143 5.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9583 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3680 2.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5928 2.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6255 5.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8831 5.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 20 2 0 0 0 0 4 23 2 0 0 0 0 5 30 1 0 0 0 0 5 39 1 0 0 0 0 6 27 1 0 0 0 0 6 74 1 0 0 0 0 7 30 2 0 0 0 0 8 36 1 0 0 0 0 8 43 1 0 0 0 0 9 38 1 0 0 0 0 9 44 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 30 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 1 0 0 0 19 23 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 24 61 1 0 0 0 0 25 26 2 0 0 0 0 25 32 1 0 0 0 0 26 33 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 32 34 2 0 0 0 0 32 70 1 0 0 0 0 33 35 2 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 34 72 1 0 0 0 0 36 38 1 0 0 0 0 37 40 2 0 0 0 0 37 73 1 0 0 0 0 38 41 2 0 0 0 0 39 42 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 41 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 43 82 1 0 0 0 0 43 83 1 0 0 0 0 43 84 1 0 0 0 0 44 85 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 M END > 71022018 > 1 > 973 > 8 > 1 > 12 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIACAAADx7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPNzbFs5+HcCpn5hHa6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > ethyl 2-[1-[2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-4-piperidyl]acetate > 2-[1-[2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-4-piperidinyl]acetic acid ethyl ester > ethyl 2-[1-[2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetate > ethyl 2-[1-[2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetate > ethyl 2-[1-[2-[(3R)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]piperidin-4-yl]ethanoate > 2-[1-[2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]-4-piperidyl]acetic acid ethyl ester > InChI=1S/C33H43ClN2O8/c1-6-43-29(39)16-21-12-14-35(15-13-21)28(38)18-27-32(40)36(19-33(2,3)20-37)25-11-10-22(34)17-24(25)30(44-27)23-8-7-9-26(41-4)31(23)42-5/h7-11,17,21,27,30,37H,6,12-16,18-20H2,1-5H3/t27-,30?/m1/s1 > LDMPCASTFYDFLG-NHQUYOMTSA-N > 3.9 > 630.2707940 > C33H43ClN2O8 > 631.2 > CCOC(=O)CC1CCN(CC1)C(=O)CC2C(=O)N(C3=C(C=C(C=C3)Cl)C(O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)CO > CCOC(=O)CC1CCN(CC1)C(=O)C[C@@H]2C(=O)N(C3=C(C=C(C=C3)Cl)C(O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)CO > 115 > 630.2707940 > 0 > 44 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 21 5 24 31 3 25 26 8 25 32 8 26 33 8 31 36 8 31 37 8 32 34 8 33 35 8 34 35 8 36 38 8 37 40 8 38 41 8 40 41 8 $$$$