70036466 -OEChem-05112401462D 90 93 0 1 0 0 0 0 0999 V2000 16.8547 1.3728 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.4339 1.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7220 -4.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8104 -1.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3200 2.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 2.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7650 4.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4088 -0.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 1.2147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 -2.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6313 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1906 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 0.3486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0418 -3.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4088 1.4721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2922 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3810 -2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1906 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4339 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6313 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0846 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0846 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9907 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9907 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5869 2.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8983 3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8094 3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1208 4.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0764 4.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2755 2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9875 4.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1256 -2.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0118 -1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6701 0.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4901 -3.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6675 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8078 2.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1095 -3.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8847 -3.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4749 -2.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5638 -1.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7885 -2.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1983 -3.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4174 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1077 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0774 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0774 2.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5264 -0.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5393 -4.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3058 2.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 0.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6663 4.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2143 5.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5826 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8923 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4583 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8680 2.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0928 2.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 0.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 3.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5920 4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1255 5.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3831 5.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 2.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 3.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 0.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 0.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 -1.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -1.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 16 1 0 0 0 0 3 65 1 0 0 0 0 4 21 2 0 0 0 0 5 28 1 0 0 0 0 5 36 1 0 0 0 0 6 29 2 0 0 0 0 7 31 1 0 0 0 0 7 41 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 45 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 29 1 0 0 0 0 11 34 1 0 0 0 0 11 67 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 20 2 0 0 0 0 14 24 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 1 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 20 1 0 0 0 0 17 23 1 0 0 0 0 17 53 1 1 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 25 1 0 0 0 0 22 29 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 28 2 0 0 0 0 23 30 1 0 0 0 0 24 26 2 0 0 0 0 24 62 1 0 0 0 0 25 27 2 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 28 31 1 0 0 0 0 30 32 2 0 0 0 0 30 66 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 68 1 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 34 71 1 0 0 0 0 35 37 1 0 0 0 0 35 39 2 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 38 2 0 0 0 0 37 75 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 39 76 1 0 0 0 0 40 44 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 42 43 2 0 0 0 0 42 82 1 0 0 0 0 43 83 1 0 0 0 0 44 45 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 46 47 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 47 88 1 0 0 0 0 47 89 1 0 0 0 0 47 90 1 0 0 0 0 M END > 70036466 > 1 > 1030 > 8 > 2 > 15 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAABYAAAAABUAAAHgIQCAAADh7hmCYyzoPABgCIAiXSWAKCCAAhJwAIiIFO7ogPNzbFs5+HcCpn9hHa6Afd2POOAABDIAAKQAAAAIZAABSAAAAAAAAAAA== > ethyl 3-[3-[[[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]phenyl]propanoate > 3-[3-[[[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]amino]methyl]phenyl]propanoic acid ethyl ester > ethyl 3-[3-[[[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]phenyl]propanoate > ethyl 3-[3-[[[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]phenyl]propanoate > ethyl 3-[3-[[2-[(3R,5S)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoylamino]methyl]phenyl]propanoate > 3-[3-[[[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]phenyl]propionic acid ethyl ester > InChI=1S/C36H43ClN2O8/c1-6-46-32(42)16-13-23-9-7-10-24(17-23)20-38-31(41)19-30-35(43)39(21-36(2,3)22-40)28-15-14-25(37)18-27(28)33(47-30)26-11-8-12-29(44-4)34(26)45-5/h7-12,14-15,17-18,30,33,40H,6,13,16,19-22H2,1-5H3,(H,38,41)/t30-,33-/m1/s1 > GSGDBAIJLXIRTQ-LXANVCGNSA-N > 4.7 > 666.2707940 > C36H43ClN2O8 > 667.2 > CCOC(=O)CCC1=CC(=CC=C1)CNC(=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)CCC1=CC(=CC=C1)CNC(=O)C[C@@H]2C(=O)N(C3=C(C=C(C=C3)Cl)[C@H](O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)CO > 124 > 666.2707940 > 0 > 47 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 20 8 14 24 8 15 22 5 17 53 5 20 25 8 23 28 8 23 30 8 24 26 8 25 27 8 26 27 8 28 31 8 30 32 8 31 33 8 32 33 8 35 37 8 35 39 8 37 38 8 38 42 8 39 43 8 42 43 8 $$$$