57390496 -OEChem-05122405502D 81 84 0 1 0 0 0 0 0999 V2000 12.5263 -0.7154 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.7154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.2846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7320 2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.2154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4641 2.7846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5981 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.7846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8660 -1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -2.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7481 -3.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8501 -3.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 2.1858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 4.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 4.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 2.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 2.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 0.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 1.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 0.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 1.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 1.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -0.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -1.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 3.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8441 3.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 0.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4607 1.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6636 1.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9966 -1.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1996 -1.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0656 -2.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8626 -2.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 -1.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 -2.2980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 -0.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2886 -3.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4099 -3.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 -4.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 -0.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 1.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1742 -1.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -2.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4142 -1.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 14 2 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 4 21 2 0 0 0 0 5 27 2 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 47 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 61 1 0 0 0 0 9 27 1 0 0 0 0 9 30 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 13 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 6 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 19 1 6 0 0 0 16 50 1 0 0 0 0 17 20 1 6 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 22 25 1 6 0 0 0 22 27 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 26 1 0 0 0 0 24 32 2 0 0 0 0 25 31 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 29 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 28 33 1 0 0 0 0 28 69 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 32 34 1 0 0 0 0 32 73 1 0 0 0 0 33 34 2 0 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 35 37 1 0 0 0 0 35 76 1 0 0 0 0 36 38 2 0 0 0 0 36 77 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 38 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 M END > 57390496 > 1 > 870 > 6 > 3 > 3 > AAADcfB7uQAAAAAAAAAAAAAAGAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADTzhmA4yBoPABACIAiFSEAACCAAgIAAIiIGOCIgOZjKEsTuXOCCk1hGYqAeY2OKOAAACAAAIAAAAAAQAABAAAAAAAAAAAA== > (3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluoro-3-methyl-phenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluoro-3-methylphenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluoro-3-methylphenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluoro-3-methylphenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluoranyl-3-methyl-phenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (3R,6S,9R,12R)-6-cyclopropyl-12-(4-fluoro-3-methyl-benzyl)-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > InChI=1S/C31H41FN4O4/c1-19-16-22(11-14-25(19)32)17-26-30(38)33-15-7-9-23-8-5-6-10-27(23)40-20(2)18-34-28(24-12-13-24)31(39)36(4)21(3)29(37)35-26/h5-6,8,10-11,14,16,20-21,24,26,28,34H,7,9,12-13,15,17-18H2,1-4H3,(H,33,38)(H,35,37)/t20-,21-,26-,28+/m1/s1 > JUOIJNCKYQXFOF-BJYFBGGTSA-N > 4.1 > 552.31118396 > C31H41FN4O4 > 552.7 > CC1CNC(C(=O)N(C(C(=O)NC(C(=O)NCCCC2=CC=CC=C2O1)CC3=CC(=C(C=C3)F)C)C)C)C4CC4 > C[C@@H]1CN[C@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)NCCCC2=CC=CC=C2O1)CC3=CC(=C(C=C3)F)C)C)C)C4CC4 > 99.8 > 552.31118396 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 46 6 16 19 6 17 20 6 22 25 6 23 24 8 23 28 8 24 32 8 28 33 8 31 35 8 31 36 8 32 34 8 33 34 8 35 37 8 36 38 8 37 39 8 38 39 8 $$$$