68917376 -OEChem-03292409152D 92 95 0 1 0 0 0 0 0999 V2000 14.1647 1.9209 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 1.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 2.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1204 -0.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 -3.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6300 2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0750 4.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7623 -5.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 1.7628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7188 -0.2268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 2.6288 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8100 1.7628 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3100 2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 0.8967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3100 4.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6466 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9413 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7188 2.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5006 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5006 1.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3518 -3.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6022 -2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6910 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9413 2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3946 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3946 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8969 3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 1.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1194 4.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4308 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3864 4.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7373 -4.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4175 -5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5855 2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2975 5.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 2.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 3.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 3.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 3.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 2.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 1.9748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7274 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4177 0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9801 1.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8469 4.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 4.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7731 4.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4356 -1.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3218 -1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1178 2.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8001 -2.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9775 -3.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4195 -3.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1947 -2.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 -1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8738 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0986 -1.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5083 -2.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3874 -0.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3874 2.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8364 0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6158 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9763 5.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5243 5.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 -5.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8392 -5.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8719 -5.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7683 2.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1780 3.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 3.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9020 5.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4355 6.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6931 5.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 22 1 0 0 0 0 2 28 1 0 0 0 0 3 20 2 0 0 0 0 4 25 1 0 0 0 0 4 79 1 0 0 0 0 5 25 2 0 0 0 0 6 27 2 0 0 0 0 7 31 1 0 0 0 0 7 44 1 0 0 0 0 8 38 1 0 0 0 0 8 46 1 0 0 0 0 9 41 1 0 0 0 0 9 47 1 0 0 0 0 10 44 2 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 48 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 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 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 23 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 25 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 1 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 27 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 24 32 1 0 0 0 0 24 33 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 0 0 0 0 28 68 1 1 0 0 0 29 30 2 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 38 2 0 0 0 0 34 40 1 0 0 0 0 35 37 2 0 0 0 0 35 77 1 0 0 0 0 36 39 2 0 0 0 0 36 78 1 0 0 0 0 37 39 1 0 0 0 0 37 80 1 0 0 0 0 38 41 1 0 0 0 0 40 42 2 0 0 0 0 40 81 1 0 0 0 0 41 43 2 0 0 0 0 42 43 1 0 0 0 0 42 82 1 0 0 0 0 43 83 1 0 0 0 0 44 45 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 47 90 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 M END > 68917376 > 1 > 1100 > 9 > 1 > 13 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIACAAADz7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPJzbFs5+HcCpn5hHa6Afd2fOeAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 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]-2-ethyl-4-piperidyl]acetic acid > 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]-2-ethyl-4-piperidinyl]acetic acid > 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]-2-ethylpiperidin-4-yl]acetic acid > 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]-2-ethylpiperidin-4-yl]acetic acid > 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]-2-ethyl-piperidin-4-yl]ethanoic acid > 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]-2-ethyl-4-piperidyl]acetic acid > InChI=1S/C35H45ClN2O9/c1-7-24-15-22(16-31(41)42)13-14-37(24)30(40)18-29-34(43)38(19-35(3,4)20-46-21(2)39)27-12-11-23(36)17-26(27)32(47-29)25-9-8-10-28(44-5)33(25)45-6/h8-12,17,22,24,29,32H,7,13-16,18-20H2,1-6H3,(H,41,42)/t22?,24?,29-,32-/m1/s1 > RPFCPPYNPLOMRK-ARVQBGDGSA-N > 4.8 > 672.2813587 > C35H45ClN2O9 > 673.2 > CCC1CC(CCN1C(=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)CC(=O)O > CCC1CC(CCN1C(=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)CC(=O)O > 132 > 672.2813587 > 0 > 47 > 2 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 18 3 14 19 3 22 21 5 28 68 5 29 30 8 29 35 8 30 36 8 34 38 8 34 40 8 35 37 8 36 39 8 37 39 8 38 41 8 40 42 8 41 43 8 42 43 8 $$$$