24969603 -OEChem-05132417282D 78 81 0 1 0 0 0 0 0999 V2000 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 6.4641 2.7846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0000 -0.2154 0.0000 C 0 0 0 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 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 9.0622 1.2846 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 8.1962 -0.2154 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 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 2.9560 -2.2222 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 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 3.8501 -3.7846 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 12.5263 -0.7154 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 5.9272 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -0.7980 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 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 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 2.4227 -1.9060 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 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 3.8525 -4.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -1.3354 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 12.2163 -1.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 -1.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8363 -0.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 19 2 0 0 0 0 4 24 2 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 45 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 57 1 0 0 0 0 8 24 1 0 0 0 0 8 27 1 0 0 0 0 8 67 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 6 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 18 1 6 0 0 0 15 19 1 0 0 0 0 15 48 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 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 20 22 1 6 0 0 0 20 24 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 21 29 2 0 0 0 0 22 28 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 25 1 0 0 0 0 23 30 2 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 26 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 28 33 1 0 0 0 0 29 31 1 0 0 0 0 29 68 1 0 0 0 0 30 34 1 0 0 0 0 30 69 1 0 0 0 0 31 34 2 0 0 0 0 31 70 1 0 0 0 0 32 35 1 0 0 0 0 32 71 1 0 0 0 0 33 36 2 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 35 37 2 0 0 0 0 35 74 1 0 0 0 0 36 37 1 0 0 0 0 36 75 1 0 0 0 0 37 38 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 M END > 24969603 > 1 > 795 > 5 > 3 > 3 > AAADcfB7uAAAAAAAAAAAAAAAGAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADSzhmAYyBoPABACIAiFSEAACCAAgIAAIiIGOCIgOZjKEsTuXOCCk1hGYqAeY2OKOQAAAAAAIAACAAAAAABAAAAAAAAAAAA== > (6S,9R,12R)-6-cyclopropyl-8,9-dimethyl-12-(p-tolylmethyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-6-cyclopropyl-8,9-dimethyl-12-[(4-methylphenyl)methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-6-cyclopropyl-8,9-dimethyl-12-[(4-methylphenyl)methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-6-cyclopropyl-8,9-dimethyl-12-[(4-methylphenyl)methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-6-cyclopropyl-8,9-dimethyl-12-[(4-methylphenyl)methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > (6S,9R,12R)-6-cyclopropyl-8,9-dimethyl-12-(4-methylbenzyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione > InChI=1S/C30H40N4O4/c1-20-10-12-22(13-11-20)19-25-29(36)32-16-6-8-23-7-4-5-9-26(23)38-18-17-31-27(24-14-15-24)30(37)34(3)21(2)28(35)33-25/h4-5,7,9-13,21,24-25,27,31H,6,8,14-19H2,1-3H3,(H,32,36)(H,33,35)/t21-,25-,27+/m1/s1 > ZPEDBCLQAZTDDB-RMXYQJDTSA-N > 3.6 > 520.30495577 > C30H40N4O4 > 520.7 > CC1C(=O)NC(C(=O)NCCCC2=CC=CC=C2OCCNC(C(=O)N1C)C3CC3)CC4=CC=C(C=C4)C > C[C@@H]1C(=O)N[C@@H](C(=O)NCCCC2=CC=CC=C2OCCN[C@H](C(=O)N1C)C3CC3)CC4=CC=C(C=C4)C > 99.8 > 520.30495577 > 0 > 38 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 44 6 15 18 6 20 22 6 21 23 8 21 29 8 23 30 8 28 32 8 28 33 8 29 31 8 30 34 8 31 34 8 32 35 8 33 36 8 35 37 8 36 37 8 $$$$