70036483 -OEChem-04252400452D 89 92 0 1 0 0 0 0 0999 V2000 15.3547 1.9209 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 3.4948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.9339 1.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2220 -3.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0030 -0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8200 2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 2.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2650 4.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9523 -5.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 5.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9088 -0.2268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.7628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8366 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5418 -3.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.8967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7922 -2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8810 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9088 2.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6906 1.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9339 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5846 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5846 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 1.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0869 3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3983 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3094 4.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9273 -4.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5764 4.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6075 -5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7755 2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4875 5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 4.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 4.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 4.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 -1.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5118 -1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9901 -2.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1675 -3.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1701 1.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6095 -3.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3847 -2.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9749 -1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0638 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2885 -1.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6983 -2.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3078 2.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5774 -0.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5774 2.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0264 0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8058 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1663 5.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 1.2258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7143 5.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1530 -5.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0292 -5.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0619 -5.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9583 2.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3680 3.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5928 3.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 2.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 3.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 2.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 5.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6255 6.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8831 5.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 4.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 4.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 4.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 4.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.8468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 5.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 41 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 16 1 0 0 0 0 4 34 1 0 0 0 0 5 23 2 0 0 0 0 6 30 1 0 0 0 0 6 39 1 0 0 0 0 7 31 2 0 0 0 0 8 33 1 0 0 0 0 8 44 1 0 0 0 0 9 34 2 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 48 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 31 1 0 0 0 0 13 37 1 0 0 0 0 13 69 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 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 22 2 0 0 0 0 17 26 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 1 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 61 1 1 0 0 0 22 27 1 0 0 0 0 24 31 1 0 0 0 0 24 62 1 0 0 0 0 24 63 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 64 1 0 0 0 0 27 29 2 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 30 33 1 0 0 0 0 32 35 2 0 0 0 0 32 67 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 68 1 0 0 0 0 36 70 1 0 0 0 0 37 40 1 0 0 0 0 37 41 2 0 0 0 0 38 71 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 42 2 0 0 0 0 40 77 1 0 0 0 0 41 45 1 0 0 0 0 42 43 1 0 0 0 0 42 46 1 0 0 0 0 43 47 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 45 46 2 0 0 0 0 45 83 1 0 0 0 0 46 84 1 0 0 0 0 47 48 1 0 0 0 0 47 85 1 0 0 0 0 47 86 1 0 0 0 0 49 87 1 0 0 0 0 49 88 1 0 0 0 0 49 89 1 0 0 0 0 M END > 70036483 > 1 > 1140 > 9 > 1 > 15 > AAADcfB/PAAGAAAAAAAAAAAAAAAAAAAAAAAwYMAABYAAAAABUAAAHgIQAAAADh7hmCYyzoPABACIAiXSWAKCCAAhJwAIiAFO7ogPJzbFs5/HMCpn9hHa6Afd2POOBABBYAAKQBAIAILAABSAIAAAAAAAAA== > methyl 3-[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-chloro-phenyl]propanoate > 3-[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-chlorophenyl]propanoic acid methyl ester > methyl 3-[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-chlorophenyl]propanoate > methyl 3-[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-chlorophenyl]propanoate > methyl 3-[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-chloranyl-phenyl]propanoate > 3-[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-chloro-phenyl]propionic acid methyl ester > InChI=1S/C36H40Cl2N2O9/c1-21(41)48-20-36(2,3)19-40-28-14-12-23(37)17-25(28)33(24-8-7-9-29(45-4)34(24)47-6)49-30(35(40)44)18-31(42)39-27-16-22(10-13-26(27)38)11-15-32(43)46-5/h7-10,12-14,16-17,30,33H,11,15,18-20H2,1-6H3,(H,39,42)/t30-,33-/m1/s1 > BRYSIFMAARKDFX-LXANVCGNSA-N > 5.6 > 714.2110862 > C36H40Cl2N2O9 > 715.6 > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NC3=C(C=CC(=C3)CCC(=O)OC)Cl)C4=C(C(=CC=C4)OC)OC > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)NC3=C(C=CC(=C3)CCC(=O)OC)Cl)C4=C(C(=CC=C4)OC)OC > 130 > 714.2110862 > 0 > 49 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 22 8 17 26 8 18 24 5 21 61 5 22 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 40 8 37 41 8 40 42 8 41 45 8 42 46 8 45 46 8 $$$$