70030054 -OEChem-04262422372D 89 92 0 1 0 0 0 0 0999 V2000 14.3547 1.9209 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.9339 1.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 2.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2220 -3.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 -0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8200 2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2650 4.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9523 -5.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.7628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9088 -0.2268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.8967 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 6.5000 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8366 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.8967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0000 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9339 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9088 2.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6906 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6906 1.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5418 -3.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7922 -2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8810 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5846 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5846 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4907 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4907 1.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0869 3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3983 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3094 4.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6208 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9273 -4.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5764 4.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6075 -5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7755 2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4875 5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 2.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 3.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 3.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 1.5507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 1.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1701 1.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6256 -1.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5118 -1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3078 2.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9901 -2.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1675 -3.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6095 -3.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 -2.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9749 -1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0638 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2886 -1.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6983 -2.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5774 -0.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5774 2.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0264 0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8058 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1663 5.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7143 5.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1530 -5.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0292 -5.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0619 -5.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9583 2.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3680 3.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5928 3.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0920 5.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6255 6.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8831 5.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 21 2 0 0 0 0 4 28 1 0 0 0 0 4 41 1 0 0 0 0 5 24 2 0 0 0 0 6 31 1 0 0 0 0 6 43 1 0 0 0 0 7 31 2 0 0 0 0 8 37 1 0 0 0 0 8 45 1 0 0 0 0 9 39 1 0 0 0 0 9 46 1 0 0 0 0 10 41 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 24 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 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 54 1 0 0 0 0 17 55 1 0 0 0 0 18 31 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 22 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 1 0 0 0 20 24 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 25 63 1 1 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 34 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 33 35 2 0 0 0 0 33 72 1 0 0 0 0 34 36 2 0 0 0 0 34 73 1 0 0 0 0 35 36 1 0 0 0 0 35 74 1 0 0 0 0 37 39 1 0 0 0 0 38 40 2 0 0 0 0 38 75 1 0 0 0 0 39 42 2 0 0 0 0 40 42 1 0 0 0 0 40 76 1 0 0 0 0 41 44 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 M END > 70030054 > 1 > 1070 > 9 > 0 > 13 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIAAAAADx7hmCYyzoMABACIAiXSWAKCCAAhJwAIiAFO7ogPJzbFs5+HMCpn5hHa6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > methyl 2-[1-[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]-4-piperidyl]acetate > 2-[1-[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]-4-piperidinyl]acetic acid methyl ester > methyl 2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetate > methyl 2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetate > methyl 2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]piperidin-4-yl]ethanoate > 2-[1-[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]-4-piperidyl]acetic acid methyl ester > InChI=1S/C34H43ClN2O9/c1-21(38)45-20-34(2,3)19-37-26-11-10-23(35)17-25(26)31(24-8-7-9-27(42-4)32(24)44-6)46-28(33(37)41)18-29(39)36-14-12-22(13-15-36)16-30(40)43-5/h7-11,17,22,28,31H,12-16,18-20H2,1-6H3/t28-,31-/m1/s1 > KSKKMBCVHTXCSD-GRKNLSHJSA-N > 4.1 > 658.2657086 > C34H43ClN2O9 > 659.2 > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)OC)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)N3CCC(CC3)CC(=O)OC)C4=C(C(=CC=C4)OC)OC > 121 > 658.2657086 > 0 > 46 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 23 5 25 63 5 26 27 8 26 33 8 27 34 8 32 37 8 32 38 8 33 35 8 34 36 8 35 36 8 37 39 8 38 40 8 39 42 8 40 42 8 $$$$