9940214 -OEChem-05032422152D 98101 0 1 0 0 0 0 0999 V2000 14.3947 1.5290 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.4377 1.9415 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2351 6.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0295 8.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0295 7.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8744 2.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 2.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8199 6.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6934 2.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1820 1.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9459 7.2408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 4.5954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8629 6.4878 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.1736 5.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7699 1.1972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 8.5455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9997 7.5455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9459 8.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5295 8.0455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1336 9.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 8.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 7.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2566 6.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 8.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5887 5.5459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6102 5.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 3.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2530 4.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 2.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 3.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 3.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4465 7.2926 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8629 8.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 7.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 6.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4465 7.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0507 8.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5172 0.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0507 6.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1846 7.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1846 6.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1521 5.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4628 4.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7949 3.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4413 4.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1056 2.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7519 3.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0841 2.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 9.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 6.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 9.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6949 9.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8112 7.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5322 9.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 9.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 6.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5322 6.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 9.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 8.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 7.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 6.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1747 5.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 4.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7381 6.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0035 5.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4824 5.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 8.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 4.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 4.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 4.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3539 2.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 2.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7345 4.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 2.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7282 6.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4003 8.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6119 8.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5676 0.7179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 1.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4465 6.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0665 7.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4465 7.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0507 8.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0507 5.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7595 5.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 0.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1031 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9786 0.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 8.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 6.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1882 3.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8553 4.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3586 3.0960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1632 1.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 50 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 15 1 0 0 0 0 2 48 1 0 0 0 0 3 24 2 0 0 0 0 4 25 1 0 0 0 0 4 69 1 0 0 0 0 5 25 2 0 0 0 0 6 30 1 0 0 0 0 6 35 1 0 0 0 0 7 30 2 0 0 0 0 8 44 2 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 24 1 0 0 0 0 26 12 1 1 0 0 0 28 12 1 6 0 0 0 12 65 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 37 1 0 0 0 0 14 44 1 0 0 0 0 14 88 1 0 0 0 0 15 97 1 0 0 0 0 15 98 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 51 1 6 0 0 0 17 21 1 0 0 0 0 17 52 1 6 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 25 1 1 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 70 1 0 0 0 0 29 31 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 31 32 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 33 78 1 0 0 0 0 34 36 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 40 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 37 1 0 0 0 0 36 39 2 0 0 0 0 37 41 2 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 42 1 0 0 0 0 39 86 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 41 43 1 0 0 0 0 41 87 1 0 0 0 0 42 43 2 0 0 0 0 42 92 1 0 0 0 0 43 93 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 94 1 0 0 0 0 47 49 2 0 0 0 0 47 95 1 0 0 0 0 48 50 2 0 0 0 0 49 50 1 0 0 0 0 49 96 1 0 0 0 0 M END > 9940214 > 1 > 1100 > 11 > 4 > 12 > AAADcfB/vABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgBQAAAHgYYSAAADSrh2CYyyYPiBgKIAiXSWHDCBBAlBwAaqJmIZsgKYDLBl7GXYQhklgDYyYeY2aOeBAAAgAACAIAIAAEAAAQBAAAAAAAAAA== > (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonylbutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;4-chloro-N-(2-methylindolin-1-yl)-3-sulfamoyl-benzamide > (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide > (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide > (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide > (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-pentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;4-chloranyl-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoyl-benzamide > (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-carbethoxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;4-chloro-N-(2-methylindolin-1-yl)-3-sulfamoyl-benzamide > InChI=1S/C19H32N2O5.C16H16ClN3O3S/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h12-16,20H,4-11H2,1-3H3,(H,23,24);2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)/t12-,13-,14-,15-,16-;/m0./s1 > LRRJSCKXFJTRLC-MHXJNQAMSA-N > 733.2912124 > C35H48ClN5O8S > 734.3 > CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O.CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N > CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N > 197 > 733.2912124 > 0 > 50 > 5 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 26 12 5 28 12 6 16 51 6 17 52 6 19 25 5 33 38 3 36 37 8 36 39 8 37 41 8 39 42 8 41 43 8 42 43 8 45 46 8 45 47 8 46 48 8 47 49 8 48 50 8 49 50 8 $$$$