71300926 -OEChem-04242420272D 81 84 0 1 0 0 0 0 0999 V2000 14.1647 1.3728 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 1.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 2.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1204 -1.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 -4.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6300 2.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0750 4.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 1.2147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7188 -0.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6466 -2.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 0.3486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3100 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9413 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7188 1.4721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5006 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5006 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3518 -3.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6022 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6910 -2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9413 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3946 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3946 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8969 2.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1194 3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4308 4.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3864 4.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5855 2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2975 4.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 1.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9801 0.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4356 -2.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3218 -1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7274 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4177 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2804 1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8001 -3.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9775 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4195 -3.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1947 -3.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 -2.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8738 -1.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0986 -2.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5083 -3.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3874 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3874 2.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8364 -0.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6158 2.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8493 -4.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9763 4.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5243 5.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7683 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1780 2.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 2.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9020 4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4355 5.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6931 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 21 2 0 0 0 0 4 23 2 0 0 0 0 5 27 1 0 0 0 0 5 72 1 0 0 0 0 6 30 1 0 0 0 0 6 73 1 0 0 0 0 7 30 2 0 0 0 0 8 36 1 0 0 0 0 8 41 1 0 0 0 0 9 38 1 0 0 0 0 9 42 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 21 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 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 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 50 1 0 0 0 0 16 51 1 0 0 0 0 17 30 1 0 0 0 0 17 52 1 0 0 0 0 17 53 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 20 1 1 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 24 59 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 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 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 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 68 1 0 0 0 0 33 35 2 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 36 38 1 0 0 0 0 37 39 2 0 0 0 0 37 71 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 41 76 1 0 0 0 0 41 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 M END > 71300926 > 1 > 942 > 8 > 2 > 10 > AAADcfB7PAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIACAAADx7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPNzbFs5+HcCpn5hHa6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 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]acetic acid > 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 > 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]acetic acid > 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]acetic acid > 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]ethanoic acid > 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 > InChI=1S/C31H39ClN2O8/c1-31(2,18-35)17-34-23-9-8-20(32)15-22(23)28(21-6-5-7-24(40-3)29(21)41-4)42-25(30(34)39)16-26(36)33-12-10-19(11-13-33)14-27(37)38/h5-9,15,19,25,28,35H,10-14,16-18H2,1-4H3,(H,37,38)/t25-,28?/m1/s1 > HDGUKVZPMPJBFK-RXVAYIKUSA-N > 3.2 > 602.2394939 > C31H39ClN2O8 > 603.1 > CC(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)CO > CC(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)CO > 126 > 602.2394939 > 0 > 42 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 20 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 39 8 38 40 8 39 40 8 $$$$