70036560 -OEChem-05112409442D 92 95 0 1 0 0 0 0 0999 V2000 15.3547 1.2087 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.9339 1.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2220 -4.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0030 -1.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8200 1.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 1.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2650 3.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9523 -5.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 5.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9088 -0.9390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.0506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8366 -2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 -1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5418 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 -0.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7922 -3.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8810 -2.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.1845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9088 1.3080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9339 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 0.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5846 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5846 1.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0869 2.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3983 2.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3094 3.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9273 -5.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 3.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5764 4.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6075 -6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7755 2.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 3.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4875 4.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 3.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 4.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 5.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 -2.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5118 -1.8907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9901 -3.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1675 -4.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1701 0.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6095 -3.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3847 -3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9749 -2.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0638 -1.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2885 -2.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6983 -3.1672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3078 1.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 -0.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 -0.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5774 -1.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5774 1.8392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0264 -0.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8058 2.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1663 4.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 0.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7143 4.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1530 -6.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0292 -6.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0619 -5.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9583 1.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3680 2.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5928 2.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 2.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 1.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 4.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 2.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 4.6844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6255 5.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8831 4.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 4.7267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 5.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 4.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 3.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 6.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 6.8573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 6.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.6267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 15 1 0 0 0 0 3 33 1 0 0 0 0 4 21 2 0 0 0 0 5 29 1 0 0 0 0 5 38 1 0 0 0 0 6 30 2 0 0 0 0 7 32 1 0 0 0 0 7 42 1 0 0 0 0 8 33 2 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 47 2 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 30 1 0 0 0 0 12 37 1 0 0 0 0 12 69 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 22 2 0 0 0 0 16 25 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 61 1 1 0 0 0 22 26 1 0 0 0 0 23 30 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 29 2 0 0 0 0 24 31 1 0 0 0 0 25 27 2 0 0 0 0 25 64 1 0 0 0 0 26 28 2 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 29 32 1 0 0 0 0 31 34 2 0 0 0 0 31 67 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 43 1 0 0 0 0 39 77 1 0 0 0 0 40 44 2 0 0 0 0 40 78 1 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 41 45 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 43 79 1 0 0 0 0 44 80 1 0 0 0 0 45 46 1 0 0 0 0 45 84 1 0 0 0 0 45 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 48 49 1 0 0 0 0 48 88 1 0 0 0 0 48 89 1 0 0 0 0 49 90 1 0 0 0 0 49 91 1 0 0 0 0 49 92 1 0 0 0 0 M END > 70036560 > 1 > 1110 > 9 > 1 > 16 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAABYAAAAABUAAAHgIQAAAADh7hmCYyzoPABACIAiXSWAKCCAAhJwAIiAFO7ogPJzbFs5+HMCpn9hHa6Afd2POOCABBIAAKQAAQAIJAABSAAAAAAAAAAA== > ethyl 3-[4-[[2-[(3R,5S)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]phenyl]propanoate > 3-[4-[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]amino]phenyl]propanoic acid ethyl ester > ethyl 3-[4-[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]phenyl]propanoate > ethyl 3-[4-[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]phenyl]propanoate > ethyl 3-[4-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoylamino]phenyl]propanoate > 3-[4-[[2-[(3R,5S)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]amino]phenyl]propionic acid ethyl ester > InChI=1S/C37H43ClN2O9/c1-7-47-33(43)18-13-24-11-15-26(16-12-24)39-32(42)20-31-36(44)40(21-37(3,4)22-48-23(2)41)29-17-14-25(38)19-28(29)34(49-31)27-9-8-10-30(45-5)35(27)46-6/h8-12,14-17,19,31,34H,7,13,18,20-22H2,1-6H3,(H,39,42)/t31-,34-/m1/s1 > GCZMMDLXJPSERY-QIKUIUABSA-N > 5.4 > 694.2657086 > C37H43ClN2O9 > 695.2 > CCOC(=O)CCC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C3=C(C=C(C=C3)Cl)C(O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)COC(=O)C > CCOC(=O)CCC1=CC=C(C=C1)NC(=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)COC(=O)C > 130 > 694.2657086 > 0 > 49 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 22 8 16 25 8 19 23 5 20 61 5 22 26 8 24 29 8 24 31 8 25 27 8 26 28 8 27 28 8 29 32 8 31 34 8 32 35 8 34 35 8 37 39 8 37 40 8 39 43 8 40 44 8 41 43 8 41 44 8 $$$$