70036830 -OEChem-03282408072D 83 85 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 12.2220 -4.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0030 -0.9177 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 9.5000 2.0807 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 3.0000 4.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.9467 0.0000 O 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 8.0000 1.2147 0.0000 N 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 12.1313 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.3486 0.0000 C 0 0 1 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 11.9088 1.4721 0.0000 C 0 0 1 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 12.6906 0.8486 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 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 9.5000 0.3486 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 9.0000 1.2147 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 7.5000 2.0807 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 6.5000 2.0807 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 6.0000 2.9467 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 5.0000 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 3.8128 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 3.5000 3.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6788 0.0000 C 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 10.1701 0.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3078 2.0732 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 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 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 12.0393 -4.9864 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 7.6900 0.6777 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 5.9174 1.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 1.4701 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 6.5826 3.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 3.5573 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 4.4174 2.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 2.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 4.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 4.4233 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 2.0000 5.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 4.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 3 60 1 0 0 0 0 4 19 2 0 0 0 0 5 29 1 0 0 0 0 5 39 1 0 0 0 0 6 26 2 0 0 0 0 7 32 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 41 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 11 26 1 0 0 0 0 11 31 1 0 0 0 0 11 62 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 19 1 0 0 0 0 14 22 1 1 0 0 0 14 45 1 0 0 0 0 15 18 2 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 46 1 1 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 25 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 26 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 27 2 0 0 0 0 24 57 1 0 0 0 0 25 28 2 0 0 0 0 25 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 29 32 1 0 0 0 0 30 34 2 0 0 0 0 30 61 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 36 2 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 36 1 0 0 0 0 34 67 1 0 0 0 0 35 37 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 37 38 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 41 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 M END > 70036830 > 1 > 889 > 8 > 2 > 15 > AAADcfB7PAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHgIQCAAADh7hmCYyzoPABgCIAiXSWAKCCAAhJwAIiIFO7ogPNzbFs5+HcCpn9hHa6Afd2PMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > methyl 6-[[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]hexanoate > 6-[[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]hexanoic acid methyl ester > methyl 6-[[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]hexanoate > methyl 6-[[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]hexanoate > methyl 6-[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]hexanoate > 6-[[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]hexanoic acid methyl ester > InChI=1S/C31H41ClN2O8/c1-31(2,19-35)18-34-23-14-13-20(32)16-22(23)28(21-10-9-11-24(39-3)29(21)41-5)42-25(30(34)38)17-26(36)33-15-8-6-7-12-27(37)40-4/h9-11,13-14,16,25,28,35H,6-8,12,15,17-19H2,1-5H3,(H,33,36)/t25-,28-/m1/s1 > CLDAJIHGXVXHOA-LEAFIULHSA-N > 3.7 > 604.2551440 > C31H41ClN2O8 > 605.1 > CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCCCCCC(=O)OC)C3=C(C(=CC=C3)OC)OC)CO > CC(C)(CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)NCCCCCC(=O)OC)C3=C(C(=CC=C3)OC)OC)CO > 124 > 604.2551440 > 0 > 42 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 22 5 15 18 8 15 24 8 16 46 5 18 25 8 23 29 8 23 30 8 24 27 8 25 28 8 27 28 8 29 32 8 30 34 8 32 36 8 34 36 8 $$$$