57583752 -OEChem-04262423422D 140144 0 1 0 0 0 0 0999 V2000 13.3263 3.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -3.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9603 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5224 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3885 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5224 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1205 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1205 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7282 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7012 0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3710 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3263 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3263 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7818 0.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2012 -0.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3107 -0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0290 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9244 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6564 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1301 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2371 0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6564 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3885 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2545 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2545 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9865 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8805 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8805 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7866 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7866 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6598 0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3388 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0997 0.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7266 -0.9918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9233 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9938 0.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3644 1.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5698 1.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6642 -0.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8911 -0.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7381 -0.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5227 -0.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8933 0.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0986 0.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6116 0.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8169 1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4464 0.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8123 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5723 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9742 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2142 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2482 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8497 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5383 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9369 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3252 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4613 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1934 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1798 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5783 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7622 0.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6357 0.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7120 0.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8123 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5723 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2422 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4822 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5444 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3044 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5224 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7176 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8733 -0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8733 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3223 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3223 1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 1129 1 0 0 0 0 2 44 1 0 0 0 0 2130 1 0 0 0 0 3 39 1 0 0 0 0 3 51 1 0 0 0 0 4 40 1 0 0 0 0 4 52 1 0 0 0 0 5 33 2 0 0 0 0 6 34 2 0 0 0 0 7 39 2 0 0 0 0 8 40 2 0 0 0 0 9 47 2 0 0 0 0 10 48 2 0 0 0 0 11 55 2 0 0 0 0 12 56 2 0 0 0 0 13 59 2 0 0 0 0 14 60 2 0 0 0 0 15 27 1 0 0 0 0 15 33 1 0 0 0 0 15 41 1 0 0 0 0 16 28 1 0 0 0 0 16 34 1 0 0 0 0 16 42 1 0 0 0 0 17 31 1 0 0 0 0 17 47 1 0 0 0 0 17 53 1 0 0 0 0 18 32 1 0 0 0 0 18 48 1 0 0 0 0 18 54 1 0 0 0 0 19 45 1 0 0 0 0 19 56 1 0 0 0 0 19119 1 0 0 0 0 20 46 1 0 0 0 0 20 55 1 0 0 0 0 20120 1 0 0 0 0 49 21 1 6 0 0 0 21 59 1 0 0 0 0 21127 1 0 0 0 0 22 50 1 0 0 0 0 22 60 1 0 0 0 0 22128 1 0 0 0 0 23 61 2 0 0 0 0 23 65 1 0 0 0 0 24 62 2 0 0 0 0 24 66 1 0 0 0 0 25 63 2 0 0 0 0 25 67 1 0 0 0 0 26 64 2 0 0 0 0 26 68 1 0 0 0 0 27 29 1 0 0 0 0 27 39 1 0 0 0 0 27 77 1 0 0 0 0 28 30 1 1 0 0 0 28 40 1 0 0 0 0 28 78 1 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 29 79 1 0 0 0 0 30 37 1 0 0 0 0 30 38 1 0 0 0 0 30 80 1 0 0 0 0 31 33 1 0 0 0 0 31 43 1 1 0 0 0 31 81 1 0 0 0 0 32 34 1 0 0 0 0 32 44 1 1 0 0 0 32 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 38 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 42100 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 45 47 1 0 0 0 0 45 57 1 0 0 0 0 45105 1 0 0 0 0 46 48 1 0 0 0 0 46 58 1 0 0 0 0 46106 1 0 0 0 0 49 51 1 0 0 0 0 49 55 1 0 0 0 0 49107 1 0 0 0 0 50 52 1 0 0 0 0 50 56 1 0 0 0 0 50108 1 0 0 0 0 51109 1 0 0 0 0 51110 1 0 0 0 0 52111 1 0 0 0 0 52112 1 0 0 0 0 53113 1 0 0 0 0 53114 1 0 0 0 0 53115 1 0 0 0 0 54116 1 0 0 0 0 54117 1 0 0 0 0 54118 1 0 0 0 0 57121 1 0 0 0 0 57122 1 0 0 0 0 57123 1 0 0 0 0 58124 1 0 0 0 0 58125 1 0 0 0 0 58126 1 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 63131 1 0 0 0 0 64132 1 0 0 0 0 65 67 1 0 0 0 0 65 69 2 0 0 0 0 66 68 1 0 0 0 0 66 70 2 0 0 0 0 67 71 2 0 0 0 0 68 72 2 0 0 0 0 69 73 1 0 0 0 0 69133 1 0 0 0 0 70 74 1 0 0 0 0 70134 1 0 0 0 0 71 75 1 0 0 0 0 71135 1 0 0 0 0 72 76 1 0 0 0 0 72136 1 0 0 0 0 73 75 2 0 0 0 0 73137 1 0 0 0 0 74 76 2 0 0 0 0 74138 1 0 0 0 0 75139 1 0 0 0 0 76140 1 0 0 0 0 M END > 57583752 > 1 > 1980 > 18 > 6 > 8 > AAADcfB//ABgAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHgQQAAAADSjl1ga+yLPIFASoATX3XACCgCQ3EiAI2KG4dNgKYP7A0bGXIIhmtgDYyMcQAAAIAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > N-[(6R,16R,19R,25S)-3,16-diisopropyl-4,7,9,17,20,22-hexamethyl-2,5,8,11,15,18,21,24-octaoxo-25-(quinoxaline-2-carbonylamino)-6,19-bis(sulfanylmethyl)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]quinoxaline-2-carboxamide > N-[(6R,16R,19R,25S)-6,19-bis(mercaptomethyl)-4,7,9,17,20,22-hexamethyl-2,5,8,11,15,18,21,24-octaoxo-25-[[oxo(2-quinoxalinyl)methyl]amino]-3,16-di(propan-2-yl)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]-2-quinoxalinecarboxamide > N-[(6R,16R,19R,25S)-4,7,9,17,20,22-hexamethyl-2,5,8,11,15,18,21,24-octaoxo-3,16-di(propan-2-yl)-25-(quinoxaline-2-carbonylamino)-6,19-bis(sulfanylmethyl)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]quinoxaline-2-carboxamide > N-[(6R,16R,19R,25S)-4,7,9,17,20,22-hexamethyl-2,5,8,11,15,18,21,24-octaoxo-3,16-di(propan-2-yl)-25-(quinoxaline-2-carbonylamino)-6,19-bis(sulfanylmethyl)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]quinoxaline-2-carboxamide > N-[(6R,16R,19R,25S)-4,7,9,17,20,22-hexamethyl-2,5,8,11,15,18,21,24-octakis(oxidanylidene)-3,16-di(propan-2-yl)-25-(quinoxalin-2-ylcarbonylamino)-6,19-bis(sulfanylmethyl)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]quinoxaline-2-carboxamide > N-[(6R,16R,19R,25S)-3,16-diisopropyl-2,5,8,11,15,18,21,24-octaketo-6,19-bis(mercaptomethyl)-4,7,9,17,20,22-hexamethyl-25-(quinoxaline-2-carbonylamino)-1,14-dioxa-4,7,10,17,20,23-hexazacyclohexacos-12-yl]quinoxaline-2-carboxamide > InChI=1S/C50H64N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38(24-76)48(70)62(10)40(26(3)4)50(72)74-22-36(58-42(64)34-20-52-30-16-12-14-18-32(30)56-34)44(66)54-27(5)45(67)59(7)37(23-75)47(69)61(39)9/h11-20,25-28,35-40,75-76H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27?,28?,35-,36?,37-,38-,39?,40+/m0/s1 > QYMSXAXODPEORA-QXOWAOBZSA-N > 2.1 > 1088.42080787 > C50H64N12O12S2 > 1089.3 > CC1C(=O)N(C(C(=O)N(C(C(=O)OCC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C2=NC3=CC=CC=C3N=C2)C(C)C)C)CS)C)C)NC(=O)C4=NC5=CC=CC=C5N=C4)C(C)C)C)CS)C > CC1C(=O)N([C@H](C(=O)N([C@@H](C(=O)OCC(C(=O)NC(C(=O)N([C@H](C(=O)N(C(C(=O)OC[C@@H](C(=O)N1)NC(=O)C2=NC3=CC=CC=C3N=C2)C(C)C)C)CS)C)C)NC(=O)C4=NC5=CC=CC=C5N=C4)C(C)C)C)CS)C > 304 > 1088.42080787 > 0 > 76 > 4 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 49 21 6 50 22 3 23 61 8 23 65 8 24 62 8 24 66 8 25 63 8 25 67 8 26 64 8 26 68 8 27 29 3 28 30 5 31 43 5 32 44 5 45 57 3 46 58 3 61 63 8 62 64 8 65 67 8 65 69 8 66 68 8 66 70 8 67 71 8 68 72 8 69 73 8 70 74 8 71 75 8 72 76 8 73 75 8 74 76 8 $$$$