70037567 -OEChem-04232420362D 96 99 0 1 0 0 0 0 0999 V2000 17.3547 1.3728 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.9339 1.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2220 -4.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0030 -0.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8200 2.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 2.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2650 4.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9088 -0.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 1.2147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8366 -2.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1313 -1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7922 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8810 -2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5418 -3.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6906 -0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9339 -0.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5252 -2.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1479 -3.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 0.3486 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6906 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9088 1.4721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5000 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5846 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1313 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5846 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4907 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4907 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0869 2.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3983 3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3094 3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6208 4.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5764 4.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7755 2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4875 4.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6256 -2.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5118 -1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5094 -3.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2865 -3.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1639 -1.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3868 -2.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -3.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1675 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9469 -2.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9797 -1.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1035 -1.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7262 -2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6934 -3.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5696 -3.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1701 0.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9174 0.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5774 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0393 -4.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5774 2.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0264 -0.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8058 2.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 0.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1663 4.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7143 5.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0826 2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3923 2.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9583 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3680 2.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5928 2.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 3.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 0.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0920 4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6255 5.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8831 5.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 3.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 0.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 1.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 1.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 3.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 3.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 3.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 3.2022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 5.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 3 69 1 0 0 0 0 4 18 2 0 0 0 0 5 31 1 0 0 0 0 5 38 1 0 0 0 0 6 30 2 0 0 0 0 7 33 1 0 0 0 0 7 41 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 47 2 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 30 1 0 0 0 0 11 36 1 0 0 0 0 11 73 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 19 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 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 22 2 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 24 1 0 0 0 0 21 64 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 26 1 0 0 0 0 23 65 1 0 0 0 0 24 30 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 28 2 0 0 0 0 25 68 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 29 2 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 32 72 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 36 37 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 43 1 0 0 0 0 39 81 1 0 0 0 0 40 44 2 0 0 0 0 40 82 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 43 86 1 0 0 0 0 44 87 1 0 0 0 0 45 46 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 46 47 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 48 49 1 0 0 0 0 48 92 1 0 0 0 0 48 93 1 0 0 0 0 49 94 1 0 0 0 0 49 95 1 0 0 0 0 49 96 1 0 0 0 0 M END > 70037567 > 1 > 1050 > 8 > 2 > 17 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAABYAAAAABUAAAHgIQCAAADh7hmCYyzoPABgCIAiXSWAKCCAAhJwAIiIFO7ogPNzbFs5+HcCpn9hHa6Afd2POPQABBIAAKQACAAIJAABSAAAAAAAAAAA== > ethyl 3-[4-[[[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-[2-ethyl-2-(hydroxymethyl)butyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]phenyl]propanoate > 3-[4-[[[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-[2-ethyl-2-(hydroxymethyl)butyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]amino]methyl]phenyl]propanoic acid ethyl ester > ethyl 3-[4-[[[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-[2-ethyl-2-(hydroxymethyl)butyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]phenyl]propanoate > ethyl 3-[4-[[[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-[2-ethyl-2-(hydroxymethyl)butyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]phenyl]propanoate > ethyl 3-[4-[[2-[7-chloranyl-5-(2,3-dimethoxyphenyl)-1-[2-ethyl-2-(hydroxymethyl)butyl]-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoylamino]methyl]phenyl]propanoate > 3-[4-[[[2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2-ethyl-2-methylol-butyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]phenyl]propionic acid ethyl ester > InChI=1S/C38H47ClN2O8/c1-6-38(7-2,24-42)23-41-30-18-17-27(39)20-29(30)35(28-10-9-11-31(46-4)36(28)47-5)49-32(37(41)45)21-33(43)40-22-26-14-12-25(13-15-26)16-19-34(44)48-8-3/h9-15,17-18,20,32,35,42H,6-8,16,19,21-24H2,1-5H3,(H,40,43) > APITYHWJJVYUMX-UHFFFAOYSA-N > 5.4 > 694.3020942 > C38H47ClN2O8 > 695.2 > CCC(CC)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCC3=CC=C(C=C3)CCC(=O)OCC)C4=C(C(=CC=C4)OC)OC)CO > CCC(CC)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCC3=CC=C(C=C3)CCC(=O)OCC)C4=C(C(=CC=C4)OC)OC)CO > 124 > 694.3020942 > 0 > 49 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 22 8 17 25 8 21 24 3 22 27 8 23 26 3 25 28 8 26 31 8 26 32 8 27 29 8 28 29 8 31 33 8 32 34 8 33 35 8 34 35 8 37 39 8 37 40 8 39 43 8 40 44 8 42 43 8 42 44 8 $$$$