56926463 -OEChem-05102411052D 77 79 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 8.0622 2.5346 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 5.4641 2.0346 0.0000 N 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 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 6.3301 2.5346 0.0000 C 0 0 1 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 8.0622 0.5346 0.0000 C 0 0 2 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 7.1962 2.0346 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 3.5346 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 8.0622 -0.4654 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 2.8660 -0.4654 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 5.4641 -1.9654 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 4.5981 -2.4654 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 5.7932 2.8446 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 6.6592 0.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 3.5346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 3.5346 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 5.9316 -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 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 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 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 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 6.6592 -0.6554 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 12.0632 -0.7754 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 12 2 0 0 0 0 3 15 2 0 0 0 0 4 20 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 43 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 50 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 8 68 1 0 0 0 0 9 10 1 1 0 0 0 9 12 1 0 0 0 0 9 38 1 0 0 0 0 10 14 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 6 0 0 0 11 41 1 0 0 0 0 13 17 1 6 0 0 0 13 20 1 0 0 0 0 13 42 1 0 0 0 0 14 25 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 16 22 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 26 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 27 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 69 1 0 0 0 0 30 35 1 0 0 0 0 30 70 1 0 0 0 0 31 36 2 0 0 0 0 31 71 1 0 0 0 0 32 34 1 0 0 0 0 32 72 1 0 0 0 0 33 34 2 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 35 37 2 0 0 0 0 35 75 1 0 0 0 0 36 37 1 0 0 0 0 36 76 1 0 0 0 0 37 77 1 0 0 0 0 M END > 56926463 > 1 > 727 > 5 > 3 > 4 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADCzhmAYyBoPABACIAiFSEAACCAAgIAAIiIGOCIgOZjKEsTuXOCCk1hGYqAeY2KKOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > (6S,9R,12R)-12-benzyl-8,9-dimethyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-8,9-dimethyl-12-(phenylmethyl)-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-12-benzyl-8,9-dimethyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-12-benzyl-8,9-dimethyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-8,9-dimethyl-12-(phenylmethyl)-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-12-benzyl-8,9-dimethyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > InChI=1S/C29H40N4O4/c1-4-11-24-29(36)33(3)21(2)27(34)32-25(20-22-12-6-5-7-13-22)28(35)31-17-10-15-23-14-8-9-16-26(23)37-19-18-30-24/h5-9,12-14,16,21,24-25,30H,4,10-11,15,17-20H2,1-3H3,(H,31,35)(H,32,34)/t21-,24+,25-/m1/s1 > HVNSCQHWQRWMCW-IEZKXTBUSA-N > 3.8 > 508.30495577 > C29H40N4O4 > 508.7 > CCCC1C(=O)N(C(C(=O)NC(C(=O)NCCCC2=CC=CC=C2OCCN1)CC3=CC=CC=C3)C)C > CCC[C@H]1C(=O)N([C@@H](C(=O)N[C@@H](C(=O)NCCCC2=CC=CC=C2OCCN1)CC3=CC=CC=C3)C)C > 99.8 > 508.30495577 > 0 > 37 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 18 6 13 17 6 26 30 8 26 31 8 27 28 8 27 29 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 9 10 5 $$$$