70036577 -OEChem-05052417012D 102105 0 1 0 0 0 0 0999 V2000 17.3547 1.2087 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.9339 1.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2220 -4.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3104 -1.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8200 1.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 1.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2650 3.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9523 -5.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 2.7826 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 3.5000 3.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9088 -0.9390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 1.0506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8366 -2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1313 -1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5418 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6906 -0.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 0.1845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7922 -3.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8810 -2.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9088 1.3080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9339 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6906 0.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1313 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5846 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5846 1.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4907 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4907 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0869 2.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3983 2.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3094 3.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9273 -5.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6208 3.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5764 4.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6075 -6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 1.9166 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 7.0000 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 2.7826 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 16.7755 2.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 3.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 3.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 3.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4875 4.8223 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 4.0000 4.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 3.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 5.3807 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 14.6256 -2.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5118 -1.8907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -3.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1675 -4.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1701 0.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6095 -3.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3847 -3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9749 -2.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0638 -1.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2885 -2.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 -3.1672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3078 1.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9174 -0.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 -0.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5774 -1.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5774 1.8392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0264 -0.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8058 2.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1663 4.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 0.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7143 4.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1530 -6.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0292 -6.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0619 -5.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 1.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 2.5706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1077 2.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 3.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 4.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9583 1.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3680 2.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5928 2.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 3.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 3.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 4.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 4.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0920 4.6844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6255 5.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8831 4.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 4.7267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 5.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0369 3.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8100 4.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9631 3.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 5.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 4.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 6.5567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 6.7836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.9367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 16 1 0 0 0 0 3 34 1 0 0 0 0 4 22 2 0 0 0 0 5 30 1 0 0 0 0 5 44 1 0 0 0 0 6 31 2 0 0 0 0 7 33 1 0 0 0 0 7 48 1 0 0 0 0 8 34 2 0 0 0 0 9 42 1 0 0 0 0 9 51 1 0 0 0 0 10 50 1 0 0 0 0 10 52 1 0 0 0 0 11 50 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 13 31 1 0 0 0 0 13 37 1 0 0 0 0 13 73 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 23 2 0 0 0 0 17 26 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 1 0 0 0 18 58 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 65 1 1 0 0 0 23 27 1 0 0 0 0 24 31 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 30 2 0 0 0 0 25 32 1 0 0 0 0 26 28 2 0 0 0 0 26 68 1 0 0 0 0 27 29 2 0 0 0 0 27 69 1 0 0 0 0 28 29 1 0 0 0 0 28 70 1 0 0 0 0 30 33 1 0 0 0 0 32 35 2 0 0 0 0 32 71 1 0 0 0 0 33 36 2 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 72 1 0 0 0 0 36 74 1 0 0 0 0 37 39 1 0 0 0 0 37 42 2 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 39 40 2 0 0 0 0 39 78 1 0 0 0 0 40 41 1 0 0 0 0 40 45 1 0 0 0 0 41 43 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 47 1 0 0 0 0 43 46 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 45 47 2 0 0 0 0 45 88 1 0 0 0 0 46 49 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 47 89 1 0 0 0 0 48 90 1 0 0 0 0 48 91 1 0 0 0 0 48 92 1 0 0 0 0 49 50 1 0 0 0 0 49 93 1 0 0 0 0 49 94 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 51 97 1 0 0 0 0 52 53 1 0 0 0 0 52 98 1 0 0 0 0 52 99 1 0 0 0 0 53100 1 0 0 0 0 53101 1 0 0 0 0 53102 1 0 0 0 0 M END > 70036577 > 1 > 1200 > 10 > 1 > 19 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAABYAAAAABUAAAHgIQAAAADh7hmCYyzoPABACIAiXSWAKCCAAhJwAIiAFP7ogPJzbFs5+HMCpn9hHa6Afd2POOIABBYAAKUABAAILAABSgAAAAAAAAAA== > ethyl 5-[3-[[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]-4-methoxy-phenyl]pentanoate > 5-[3-[[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]-4-methoxyphenyl]pentanoic acid ethyl ester > ethyl 5-[3-[[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]-4-methoxyphenyl]pentanoate > ethyl 5-[3-[[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]-4-methoxyphenyl]pentanoate > ethyl 5-[3-[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]-4-methoxy-phenyl]pentanoate > 5-[3-[[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]-4-methoxy-phenyl]valeric acid ethyl ester > InChI=1S/C40H49ClN2O10/c1-8-51-36(46)15-10-9-12-26-16-19-32(48-5)30(20-26)42-35(45)22-34-39(47)43(23-40(3,4)24-52-25(2)44)31-18-17-27(41)21-29(31)37(53-34)28-13-11-14-33(49-6)38(28)50-7/h11,13-14,16-21,34,37H,8-10,12,15,22-24H2,1-7H3,(H,42,45)/t34-,37-/m1/s1 > TWJPGRBHHYMPSI-ZLHGTEGGSA-N > 6.2 > 752.3075735 > C40H49ClN2O10 > 753.3 > CCOC(=O)CCCCC1=CC(=C(C=C1)OC)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)CCCCC1=CC(=C(C=C1)OC)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 > 139 > 752.3075735 > 0 > 53 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 23 8 17 26 8 18 24 5 21 65 5 23 27 8 25 30 8 25 32 8 26 28 8 27 29 8 28 29 8 30 33 8 32 35 8 33 36 8 35 36 8 37 39 8 37 42 8 39 40 8 40 45 8 42 47 8 45 47 8 $$$$