45101898 -OEChem-03192406282D 65 66 0 1 0 0 0 0 0999 V2000 7.7954 0.8730 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 1.7969 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 -3.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8716 -1.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1823 0.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 2.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8478 -1.6726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4889 -2.2814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0544 0.9191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 -0.0509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 2.7207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 -0.6811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5650 -1.8987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2172 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 -0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2172 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6411 -2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 -0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4889 -0.4336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4569 -1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1627 -1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 -1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9783 1.3018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8600 -0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 1.7969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4128 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1088 2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4889 2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8566 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3253 -0.8021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0129 -1.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3249 0.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 0.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1153 -0.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 0.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3108 -1.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7261 -2.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2742 -0.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0584 -1.1267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9819 -2.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8554 -2.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9506 -1.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7453 -1.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3747 -0.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8441 0.6964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3851 -0.9797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2585 -1.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3350 -0.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 0.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6202 0.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7733 1.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 2.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4937 -0.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0274 -0.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0571 -0.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4645 3.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 2.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1114 2.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3994 -0.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 -0.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3137 0.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 2 31 1 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 23 2 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 39 1 0 0 0 0 9 14 1 0 0 0 0 9 23 1 0 0 0 0 9 40 1 0 0 0 0 10 19 1 0 0 0 0 10 24 1 0 0 0 0 10 56 1 0 0 0 0 11 20 1 0 0 0 0 11 29 1 0 0 0 0 11 59 1 0 0 0 0 12 27 1 0 0 0 0 12 30 1 0 0 0 0 12 60 1 0 0 0 0 13 15 1 1 0 0 0 13 19 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 6 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 37 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 38 1 0 0 0 0 20 23 1 0 0 0 0 20 28 1 0 0 0 0 20 41 1 1 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 24 30 1 0 0 0 0 24 32 1 6 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 27 55 1 1 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 M END > 45101898 > 1 > 748 > 7 > 5 > 3 > AAADcfB7uABgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAHgQQAAAADSjFwASCAALAAAAIAAEQEAAAAAAAAAAAAIGIAAAAQBIAgCAUAAAAFgCAAAAYAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1S,4S,7R,10S,13S)-7-isobutyl-10-isopropyl-4-methyl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone > (1S,4S,7R,10S,13S)-4-methyl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone > (1S,4S,7R,10S,13S)-4-methyl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone > (1S,4S,7R,10S,13S)-4-methyl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone > (1S,4S,7R,10S,13S)-4-methyl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone > (1S,4S,7R,10S,13S)-7-isobutyl-10-isopropyl-4-methyl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone > InChI=1S/C20H33N5O5S2/c1-9(2)6-12-17(27)21-11(5)16(26)23-13-7-31-32-8-14(24-18(13)28)19(29)25-15(10(3)4)20(30)22-12/h9-15H,6-8H2,1-5H3,(H,21,27)(H,22,30)(H,23,26)(H,24,28)(H,25,29)/t11-,12+,13+,14+,15-/m0/s1 > UQCLCXDOXVZEOA-JARUQAPTSA-N > 0.7 > 487.19231152 > C20H33N5O5S2 > 487.6 > CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O > C[C@H]1C(=O)N[C@@H]2CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)C(C)C)NC2=O > 196 > 487.19231152 > 0 > 32 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 15 5 14 16 6 20 41 5 24 32 6 27 55 5 $$$$