57399248 -OEChem-04192402482D 80 82 0 1 0 0 0 0 0999 V2000 12.3923 -0.9654 0.0000 Cl 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 3.7320 -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 8.9282 -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 2.8660 2.5346 0.0000 C 0 0 2 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 3.5346 0.0000 C 0 0 0 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 2.0000 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5346 0.0000 C 0 0 1 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 2.0000 4.0346 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 7.1962 2.0346 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 6.3301 3.5346 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 8.9282 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 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 4.5981 -2.4654 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 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 2.8220 -2.4722 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 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 2.8660 1.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4682 1.6096 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 4.2690 0.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.4977 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 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 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 8.0622 1.1546 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 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 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 0.7246 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 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 -0.6554 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 2.2887 -2.1560 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 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 1 39 1 0 0 0 0 2 13 2 0 0 0 0 3 22 1 0 0 0 0 3 30 1 0 0 0 0 4 19 2 0 0 0 0 5 24 2 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 44 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 20 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 63 1 0 0 0 0 9 24 1 0 0 0 0 9 27 1 0 0 0 0 9 72 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 1 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 6 0 0 0 12 17 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 19 1 0 0 0 0 15 21 1 6 0 0 0 15 48 1 0 0 0 0 16 22 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 23 1 6 0 0 0 18 24 1 0 0 0 0 18 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 29 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 32 2 0 0 0 0 31 35 1 0 0 0 0 31 73 1 0 0 0 0 32 36 1 0 0 0 0 32 74 1 0 0 0 0 33 37 1 0 0 0 0 33 75 1 0 0 0 0 34 38 2 0 0 0 0 34 76 1 0 0 0 0 35 36 2 0 0 0 0 35 77 1 0 0 0 0 36 78 1 0 0 0 0 37 39 2 0 0 0 0 37 79 1 0 0 0 0 38 39 1 0 0 0 0 38 80 1 0 0 0 0 M END > 57399248 > 1 > 791 > 5 > 3 > 4 > AAADcfB7uAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgIQAAAADS7hmCYyBoPABACIAiFSEAACCAAgJQAIiIGOCogOZjKFszuXOCCk1hGYqAeY2KKOBAAAAAAIAAAIAAAAABAAAAAAAAAAAA== > (6S,9R,12R)-12-[(4-chlorophenyl)methyl]-8,9-dimethyl-6-[(1S)-1-methylpropyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-6-[(2S)-butan-2-yl]-12-[(4-chlorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-6-[(2S)-butan-2-yl]-12-[(4-chlorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-6-[(2S)-butan-2-yl]-12-[(4-chlorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-6-[(2S)-butan-2-yl]-12-[(4-chlorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-12-(4-chlorobenzyl)-8,9-dimethyl-6-[(1S)-1-methylpropyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > InChI=1S/C30H41ClN4O4/c1-5-20(2)27-30(38)35(4)21(3)28(36)34-25(19-22-12-14-24(31)15-13-22)29(37)33-16-8-10-23-9-6-7-11-26(23)39-18-17-32-27/h6-7,9,11-15,20-21,25,27,32H,5,8,10,16-19H2,1-4H3,(H,33,37)(H,34,36)/t20-,21+,25+,27-/m0/s1 > UKTFKKQZZNIQCZ-QIDJRYDTSA-N > 4.8 > 556.2816335 > C30H41ClN4O4 > 557.1 > CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)NCCCC2=CC=CC=C2OCCN1)CC3=CC=C(C=C3)Cl)C)C > CC[C@H](C)[C@H]1C(=O)N([C@@H](C(=O)N[C@@H](C(=O)NCCCC2=CC=CC=C2OCCN1)CC3=CC=C(C=C3)Cl)C)C > 99.8 > 556.2816335 > 0 > 39 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 5 11 41 6 15 21 6 18 23 6 28 30 8 28 31 8 29 33 8 29 34 8 30 32 8 31 35 8 32 36 8 33 37 8 34 38 8 35 36 8 37 39 8 38 39 8 $$$$