42628072 -OEChem-05082417312D 142146 0 1 0 0 0 0 0999 V2000 11.1123 -4.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7667 -0.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3997 -5.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8106 0.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9681 -2.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 1.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0683 4.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8869 -1.7601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3483 -0.4273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4237 -0.4273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8543 0.9054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2555 -5.7814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2433 -1.9967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8997 -5.8848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5531 2.2512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4494 -1.8354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 0.4977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6520 5.9148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6673 -2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3740 -3.2868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9333 -1.1426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3997 -3.2868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1064 -2.3776 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8439 -0.8819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8439 0.0923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3802 -4.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 -2.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9007 0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3270 -3.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8997 -4.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1647 -2.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5629 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8328 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0081 1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8715 -1.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6090 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -0.9145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6673 1.5555 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9297 0.0597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3414 2.4646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8715 0.3205 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8997 -4.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3671 2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2493 -4.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -2.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0738 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1985 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1322 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5243 -1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3439 1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6418 -1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1339 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9171 3.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 3.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4142 2.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3997 -5.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1874 1.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2116 0.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4967 4.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4492 -1.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 0.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 5.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5420 2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9076 3.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3550 -1.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7832 -3.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6702 -2.8183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4147 -0.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8788 -1.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7690 -4.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1718 -4.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7287 -0.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1889 -3.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0428 -3.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8439 -2.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1391 -4.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9178 -3.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5149 -2.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 -4.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4823 -4.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0612 -1.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8345 -2.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8171 -0.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4405 0.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6197 0.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1099 1.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3965 1.1806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0963 2.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3742 -0.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0558 3.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4331 0.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0074 -3.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3171 -3.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0398 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -2.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0781 -3.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9538 -3.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2142 1.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5908 1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8559 0.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 1.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 -0.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3428 -0.7374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7644 1.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7995 2.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9234 2.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -1.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4632 -2.4659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2355 -2.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5892 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 1.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3544 2.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4258 3.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9810 3.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3572 4.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7410 3.4608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 3.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8234 2.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2262 2.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7944 -6.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7205 -6.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 -0.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -0.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 4.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9880 3.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8394 -1.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0931 -2.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5897 -6.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5197 -5.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1667 2.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1513 -2.3790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 -1.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5263 1.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1496 2.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -0.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0088 6.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0345 5.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4847 3.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1344 3.9077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3306 3.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 2 0 0 0 0 2 49 2 0 0 0 0 3 57 2 0 0 0 0 4 58 2 0 0 0 0 5 61 2 0 0 0 0 6 62 2 0 0 0 0 7 63 2 0 0 0 0 8 19 1 0 0 0 0 8 23 1 0 0 0 0 8 70 1 0 0 0 0 9 21 1 0 0 0 0 9 28 1 0 0 0 0 9 73 1 0 0 0 0 10 35 1 0 0 0 0 10 41 1 0 0 0 0 10 95 1 0 0 0 0 11 38 1 0 0 0 0 11 46 1 0 0 0 0 11101 1 0 0 0 0 12 44 1 0 0 0 0 12121 1 0 0 0 0 12122 1 0 0 0 0 13 49 1 0 0 0 0 13127 1 0 0 0 0 13128 1 0 0 0 0 14 57 1 0 0 0 0 14129 1 0 0 0 0 14130 1 0 0 0 0 15 58 1 0 0 0 0 15 64 1 0 0 0 0 15131 1 0 0 0 0 16 61 1 0 0 0 0 16132 1 0 0 0 0 16133 1 0 0 0 0 17 62 1 0 0 0 0 17136 1 0 0 0 0 17137 1 0 0 0 0 18 63 1 0 0 0 0 18138 1 0 0 0 0 18139 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 6 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 20 29 1 6 0 0 0 21 24 1 0 0 0 0 21 66 1 1 0 0 0 22 23 1 0 0 0 0 22 30 1 6 0 0 0 22 67 1 0 0 0 0 23 31 1 0 0 0 0 23 68 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 1 0 0 0 24 69 1 0 0 0 0 25 28 1 0 0 0 0 25 33 1 0 0 0 0 25 34 1 1 0 0 0 26 44 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 28 36 2 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 42 1 0 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 31 35 2 0 0 0 0 31 45 1 0 0 0 0 32 49 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 47 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 51 1 0 0 0 0 37 39 1 0 0 0 0 37 50 1 0 0 0 0 37 52 1 6 0 0 0 38 40 1 0 0 0 0 38 89 1 0 0 0 0 39 41 1 0 0 0 0 39 53 1 6 0 0 0 39 90 1 0 0 0 0 40 43 1 0 0 0 0 40 54 1 6 0 0 0 40 91 1 0 0 0 0 41 48 1 0 0 0 0 41 92 1 0 0 0 0 42 57 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 43 46 1 0 0 0 0 43 55 1 0 0 0 0 43 56 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 48 2 0 0 0 0 47 58 1 0 0 0 0 47 99 1 0 0 0 0 47100 1 0 0 0 0 48102 1 0 0 0 0 50 61 1 0 0 0 0 50103 1 0 0 0 0 50104 1 0 0 0 0 51105 1 0 0 0 0 51106 1 0 0 0 0 51107 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 52110 1 0 0 0 0 53 59 1 0 0 0 0 53111 1 0 0 0 0 53112 1 0 0 0 0 54 60 1 0 0 0 0 54113 1 0 0 0 0 54114 1 0 0 0 0 55115 1 0 0 0 0 55116 1 0 0 0 0 55117 1 0 0 0 0 56118 1 0 0 0 0 56119 1 0 0 0 0 56120 1 0 0 0 0 59 62 1 0 0 0 0 59123 1 0 0 0 0 59124 1 0 0 0 0 60 63 1 0 0 0 0 60125 1 0 0 0 0 60126 1 0 0 0 0 64 65 1 0 0 0 0 64134 1 0 0 0 0 64135 1 0 0 0 0 65140 1 0 0 0 0 65141 1 0 0 0 0 65142 1 0 0 0 0 M END > 42628072 > 1 > 2070 > 11 > 11 > 19 > AAADcfB/+AAAAAAAAAAAAAAAAAAAAWLFiwAAAAAAAAAAAAAAAAAAHgAQAAAAD6jBgAQCAALAAACIAiVSUACAAAAgAgAACIEIAAgAQBIAgAAUAAAAlgCIAAMcicCfgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R,19R)-2,7,18-tris(2-amino-2-oxo-ethyl)-3,13-bis(3-amino-3-oxo-propyl)-17-[3-(ethylamino)-3-oxo-propyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propanamide > 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R,19R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(ethylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propanamide > 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R,19R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(ethylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propanamide > 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R,19R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(ethylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propanamide > 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R,19R)-2,7,18-tris(2-azanyl-2-oxidanylidene-ethyl)-3,13-bis(3-azanyl-3-oxidanylidene-propyl)-17-[3-(ethylamino)-3-oxidanylidene-propyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propanamide > 3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R,19R)-2,7,18-tris(2-amino-2-keto-ethyl)-3,13-bis(3-amino-3-keto-propyl)-17-[3-(ethylamino)-3-keto-propyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propionamide > InChI=1S/C47H77N11O7/c1-10-54-37(65)17-18-44(6)28(19-34(51)62)42-47(9)46(8,22-36(53)64)27(13-16-33(50)61)39(58-47)24(3)41-45(7,21-35(52)63)25(11-14-31(48)59)29(55-41)20-30-43(4,5)26(12-15-32(49)60)38(56-30)23(2)40(44)57-42/h20,25-29,38-39,42,55-58H,10-19,21-22H2,1-9H3,(H2,48,59)(H2,49,60)(H2,50,61)(H2,51,62)(H2,52,63)(H2,53,64)(H,54,65)/b30-20-,40-23-,41-24-/t25-,26-,27-,28+,29?,38?,39?,42-,44-,45+,46+,47+/m1/s1 > WNRJEFTZPRBDAI-OPSKXANGSA-N > -1.9 > 907.60074384 > C47H77N11O7 > 908.2 > CCNC(=O)CCC1(C(C2C3(C(C(C(N3)C(=C4C(C(C(N4)C=C5C(C(C(N5)C(=C1N2)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C > CCNC(=O)CC[C@@]\1([C@H]([C@@H]2[C@]3([C@@]([C@@H](C(N3)/C(=C\4/[C@@]([C@@H](C(N4)/C=C\5/C([C@@H](C(N5)/C(=C1\N2)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C > 336 > 907.60074384 > 0 > 65 > 9 > 3 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 19 27 6 20 29 6 21 66 5 22 30 6 23 31 3 24 32 5 25 34 5 38 36 3 37 52 6 39 53 6 40 54 6 41 48 3 $$$$