71022017 -OEChem-05142413252D 67 69 0 1 0 0 0 0 0999 V2000 10.8547 1.3728 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 1.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7220 -4.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 -0.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3200 2.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7650 4.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4088 -0.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3366 -2.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6313 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4088 1.4721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0000 0.3486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0418 -3.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2922 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 -2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 -0.5523 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 7.6313 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0846 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0846 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9906 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9906 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5869 2.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8094 3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 4.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0764 4.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2755 2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9875 4.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1256 -2.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0118 -1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9704 1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 0.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4901 -3.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6675 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1095 -3.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8847 -3.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4749 -2.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5638 -1.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 -2.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1983 -3.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0774 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0774 2.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5264 -0.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5393 -4.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 2.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 4.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2143 5.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4583 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8680 2.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0928 2.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1255 5.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3831 5.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 3 53 1 0 0 0 0 4 19 2 0 0 0 0 5 26 1 0 0 0 0 5 33 1 0 0 0 0 6 28 1 0 0 0 0 6 32 1 0 0 0 0 7 29 1 0 0 0 0 7 34 1 0 0 0 0 8 28 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 38 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 1 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 23 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 20 28 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 54 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 32 35 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 71022017 > 1 > 720 > 7 > 1 > 10 > AAADcfB6OAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHgIACAAADh7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPNzbFs5+HcCpn5hHa6Af30PMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > ethyl 2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate > 2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid ethyl ester > ethyl 2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate > ethyl 2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate > ethyl 2-[(3R)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate > 2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetic acid ethyl ester > InChI=1S/C26H32ClNO7/c1-6-34-22(30)13-21-25(31)28(14-26(2,3)15-29)19-11-10-16(27)12-18(19)23(35-21)17-8-7-9-20(32-4)24(17)33-5/h7-12,21,23,29H,6,13-15H2,1-5H3/t21-,23?/m1/s1 > PIJXFZQYVJVONV-FKHAVUOCSA-N > 3.7 > 505.1867301 > C26H32ClNO7 > 506.0 > CCOC(=O)CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=C(C(=CC=C3)OC)OC)CC(C)(C)CO > CCOC(=O)C[C@@H]1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=C(C(=CC=C3)OC)OC)CC(C)(C)CO > 94.5 > 505.1867301 > 0 > 35 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 16 8 12 22 8 13 21 3 14 20 5 16 23 8 21 26 8 21 27 8 22 24 8 23 25 8 24 25 8 26 29 8 27 30 8 29 31 8 30 31 8 $$$$