9832751 -OEChem-05092405032D 132138 0 1 0 0 0 0 0999 V2000 6.1507 5.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 3.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7291 7.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1722 5.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7024 16.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7108 15.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7108 13.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 5.6738 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.4434 4.1852 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5259 5.5932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3754 7.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5114 1.3336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 15.0538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0862 5.8800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7541 5.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7971 4.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 6.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4649 3.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4614 6.2119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7935 6.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 6.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3969 6.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 4.6427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1113 3.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 3.8380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1472 7.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 3.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5044 5.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0433 6.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8006 2.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4579 8.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7111 5.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7876 6.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2990 5.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4684 1.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8221 2.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 8.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 9.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1578 0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 9.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1007 10.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 10.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 14.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 15.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9704 13.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9704 15.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 14.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7024 15.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5684 15.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4344 15.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3005 15.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1665 15.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0325 15.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8986 15.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0325 14.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7646 15.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7646 14.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8986 13.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2944 14.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 6.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3010 4.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1366 5.6236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2502 5.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 4.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9662 6.7457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 6.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9386 3.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 3.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8754 5.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3199 7.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5623 7.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 6.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8277 4.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6582 3.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4938 3.9288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0805 3.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 7.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7646 7.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9642 2.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7526 2.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1118 6.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5680 7.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5648 4.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.4580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2496 5.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1252 5.0867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1726 5.9622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2016 6.4988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2490 7.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3735 7.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8849 6.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 5.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 5.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 3.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0751 1.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4080 2.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 8.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1833 9.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5718 0.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3537 9.7294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6866 10.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9867 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2718 10.9351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4937 14.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 13.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 15.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4937 14.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 13.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 13.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 16.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 16.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0484 13.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 14.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5684 14.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4344 16.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3005 14.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1665 16.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8986 16.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4956 13.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8986 12.9338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7553 14.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7553 14.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 1 90 1 0 0 0 0 25 2 1 6 0 0 0 2102 1 0 0 0 0 3 22 2 0 0 0 0 4 29 2 0 0 0 0 5 55 2 0 0 0 0 6 63 1 0 0 0 0 6 66 1 0 0 0 0 7 64 1 0 0 0 0 7 66 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 9 24 1 0 0 0 0 23 10 1 6 0 0 0 10 29 1 0 0 0 0 10 88 1 0 0 0 0 11 22 1 0 0 0 0 11 31 1 0 0 0 0 11 89 1 0 0 0 0 12 42 1 0 0 0 0 12 48 2 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 6 0 0 0 14 67 1 0 0 0 0 15 68 1 0 0 0 0 15 69 1 0 0 0 0 16 18 1 0 0 0 0 16 70 1 0 0 0 0 16 71 1 0 0 0 0 17 19 1 0 0 0 0 17 72 1 0 0 0 0 17 73 1 0 0 0 0 18 74 1 0 0 0 0 18 75 1 0 0 0 0 19 20 1 0 0 0 0 19 76 1 0 0 0 0 21 20 1 6 0 0 0 20 77 1 0 0 0 0 20 78 1 0 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 21 79 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 23 80 1 0 0 0 0 24 32 1 0 0 0 0 24 81 1 0 0 0 0 24 82 1 0 0 0 0 25 27 1 0 0 0 0 25 83 1 0 0 0 0 26 33 1 0 0 0 0 26 84 1 0 0 0 0 26 85 1 0 0 0 0 27 30 1 0 0 0 0 27 86 1 0 0 0 0 27 87 1 0 0 0 0 28 30 1 0 0 0 0 28 34 2 0 0 0 0 30 35 2 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 31 38 1 0 0 0 0 32 41 1 0 0 0 0 32 42 2 0 0 0 0 33 43 2 0 0 0 0 33 44 1 0 0 0 0 34 39 1 0 0 0 0 34 91 1 0 0 0 0 35 40 1 0 0 0 0 35 92 1 0 0 0 0 36 93 1 0 0 0 0 36 94 1 0 0 0 0 36 95 1 0 0 0 0 37 96 1 0 0 0 0 37 97 1 0 0 0 0 37 98 1 0 0 0 0 38 99 1 0 0 0 0 38100 1 0 0 0 0 38101 1 0 0 0 0 39 40 2 0 0 0 0 39103 1 0 0 0 0 40104 1 0 0 0 0 41 45 2 0 0 0 0 41105 1 0 0 0 0 42106 1 0 0 0 0 43 46 1 0 0 0 0 43107 1 0 0 0 0 44 47 2 0 0 0 0 44108 1 0 0 0 0 45 48 1 0 0 0 0 45109 1 0 0 0 0 46 49 2 0 0 0 0 46110 1 0 0 0 0 47 49 1 0 0 0 0 47111 1 0 0 0 0 48112 1 0 0 0 0 49113 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 51 53 1 0 0 0 0 51116 1 0 0 0 0 51117 1 0 0 0 0 52 54 1 0 0 0 0 52118 1 0 0 0 0 52119 1 0 0 0 0 53120 1 0 0 0 0 53121 1 0 0 0 0 54122 1 0 0 0 0 54123 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56124 1 0 0 0 0 57 58 1 0 0 0 0 57125 1 0 0 0 0 58 59 2 0 0 0 0 58126 1 0 0 0 0 59 60 1 0 0 0 0 59127 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 61128 1 0 0 0 0 62 65 2 0 0 0 0 62129 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65130 1 0 0 0 0 66131 1 0 0 0 0 66132 1 0 0 0 0 M END > 9832751 > 1 > 1360 > 10 > 4 > 15 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAaIAAAA8ePECAAAAAGgB1AAAHgAQCAAADbzhmgc+jpPIFgCoAjF3VACCiCAxIiAI2KG+7NgfdvrE8bu0cCpk1hHe6Ye62fKOoAABAAAQQABAAAIAACCAAKAACQgAAA== > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one;(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-1-penta-2,4-dienone;(2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-(3-pyridinylmethyl)-2-piperazinecarboxamide > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one;(2S)-N-tert-butyl-1-[(2S,4R)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one;(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-keto-pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide > InChI=1S/C36H47N5O4.C17H19NO3/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);2-3,6-9,12H,1,4-5,10-11,13H2/b;6-2+,7-3+/t28-,29+,31+,32-,33+;/m1./s1 > RHKBNCVFBZUVTD-FWANGDIGSA-N > 898.49929847 > C53H66N6O7 > 899.1 > CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 > CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3 > 157 > 898.49929847 > 0 > 66 > 5 > 0 > 2 > 0 > 0 > 2 > -1 > 1 5 255 > 19 1 5 23 10 6 12 42 8 12 48 8 14 22 6 25 2 6 21 20 6 28 30 8 28 34 8 30 35 8 32 41 8 32 42 8 33 43 8 33 44 8 34 39 8 35 40 8 39 40 8 41 45 8 43 46 8 44 47 8 45 48 8 46 49 8 47 49 8 60 61 8 60 62 8 61 63 8 62 65 8 63 64 8 64 65 8 $$$$