56926356 -OEChem-05042413492D 75 77 0 1 0 0 0 0 0999 V2000 3.7320 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6141 -3.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -2.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 -4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -3.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 4.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -2.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1546 -3.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 -2.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7185 -4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 -3.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 28 1 0 0 0 0 2 13 2 0 0 0 0 3 21 2 0 0 0 0 4 23 2 0 0 0 0 5 37 1 0 0 0 0 5 75 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 42 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 27 1 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 8 57 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 60 1 0 0 0 0 10 11 1 1 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 1 6 0 0 0 12 21 1 0 0 0 0 12 41 1 0 0 0 0 14 25 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 22 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 26 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 23 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 24 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 24 28 1 0 0 0 0 24 29 2 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 67 1 0 0 0 0 30 35 1 0 0 0 0 30 68 1 0 0 0 0 31 36 2 0 0 0 0 31 69 1 0 0 0 0 32 34 1 0 0 0 0 32 70 1 0 0 0 0 33 34 2 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 35 37 2 0 0 0 0 35 73 1 0 0 0 0 36 37 1 0 0 0 0 36 74 1 0 0 0 0 M END > 56926356 > 1 > 727 > 6 > 4 > 4 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADCzhmAYyBoPABgCIAiFSEAACCAAgIAAIiIGOCIgOZjKGsTuXeCCk1hGYuAeY2KKOIAAAAAAIAABAAAAAABAAAAAAAAAAAA== > (6S,12R)-12-[(4-hydroxyphenyl)methyl]-8-methyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,12R)-12-[(4-hydroxyphenyl)methyl]-8-methyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,12R)-12-[(4-hydroxyphenyl)methyl]-8-methyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,12R)-12-[(4-hydroxyphenyl)methyl]-8-methyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,12R)-12-[(4-hydroxyphenyl)methyl]-8-methyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,12R)-12-(4-hydroxybenzyl)-8-methyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > InChI=1S/C28H38N4O5/c1-3-7-23-28(36)32(2)19-26(34)31-24(18-20-11-13-22(33)14-12-20)27(35)30-15-6-9-21-8-4-5-10-25(21)37-17-16-29-23/h4-5,8,10-14,23-24,29,33H,3,6-7,9,15-19H2,1-2H3,(H,30,35)(H,31,34)/t23-,24+/m0/s1 > IHPKBGRMJNCAJW-BJKOFHAPSA-N > 3 > 510.28422033 > C28H38N4O5 > 510.6 > CCCC1C(=O)N(CC(=O)NC(C(=O)NCCCC2=CC=CC=C2OCCN1)CC3=CC=C(C=C3)O)C > CCC[C@H]1C(=O)N(CC(=O)N[C@@H](C(=O)NCCCC2=CC=CC=C2OCCN1)CC3=CC=C(C=C3)O)C > 120 > 510.28422033 > 0 > 37 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 5 12 16 6 24 28 8 24 29 8 26 30 8 26 31 8 28 32 8 29 33 8 30 35 8 31 36 8 32 34 8 33 34 8 35 37 8 36 37 8 $$$$