70034313 -OEChem-04262419272D 80 82 0 1 0 0 0 0 0999 V2000 14.9747 1.3728 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.5539 1.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8420 -4.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6230 -0.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4400 2.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 2.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8850 4.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5288 -0.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 1.2147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4566 -2.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7513 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 0.3486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3106 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5288 1.4721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1618 -3.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3106 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5539 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4122 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5010 -2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7513 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2046 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2046 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1107 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1107 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7069 2.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0183 3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9294 3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 4.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1964 4.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 3.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3955 2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1075 4.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 3.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2456 -2.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1318 -1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7901 0.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9278 2.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6101 -3.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2295 -3.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0047 -3.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5949 -2.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6838 -1.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9086 -2.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3183 -3.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5374 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1974 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1974 2.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6464 -0.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6593 -4.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4258 2.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 0.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5374 1.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 1.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7863 4.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2026 3.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 3.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3343 5.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 2.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 2.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 4.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 4.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5783 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9880 2.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2128 2.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7120 4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2455 5.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5031 5.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6788 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 59 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 80 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 61 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 42 1 0 0 0 0 13 43 1 0 0 0 0 14 19 1 0 0 0 0 14 22 1 1 0 0 0 14 44 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 45 1 1 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 25 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 26 1 0 0 0 0 22 54 1 0 0 0 0 22 55 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 56 1 0 0 0 0 25 28 2 0 0 0 0 25 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 29 32 1 0 0 0 0 30 34 2 0 0 0 0 30 60 1 0 0 0 0 31 33 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 36 2 0 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 37 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 38 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 41 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 M END > 70034313 > 1 > 873 > 8 > 3 > 14 > AAADcfB7PAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHgIQCAAADh7hmCYyzoPABgCIAiXSWAKCCAAhJwAIiIFO7ogPNzbFs5+HcCpn9hHa6Afd2PMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 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]hexanoic acid > 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 > 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]hexanoic acid > 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]hexanoic acid > 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]hexanoic acid > 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 > InChI=1S/C30H39ClN2O8/c1-30(2,18-34)17-33-22-13-12-19(31)15-21(22)27(20-9-8-10-23(39-3)28(20)40-4)41-24(29(33)38)16-25(35)32-14-7-5-6-11-26(36)37/h8-10,12-13,15,24,27,34H,5-7,11,14,16-18H2,1-4H3,(H,32,35)(H,36,37)/t24-,27-/m1/s1 > RYADDKBFZHWJID-SHQCIBLASA-N > 3.4 > 590.2394939 > C30H39ClN2O8 > 591.1 > CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCCCCCC(=O)O)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)O)C3=C(C(=CC=C3)OC)OC)CO > 135 > 590.2394939 > 0 > 41 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 22 5 15 18 8 15 24 8 16 45 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 $$$$