CDK 1030232200 77 77 0 0 0 0 0 0 0 0999 V2000 11.3704 -0.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7328 -0.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9938 -0.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2422 5.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5956 6.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0258 5.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2709 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7502 6.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6410 5.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1943 6.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5319 1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5349 7.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1488 7.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4246 5.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4628 2.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8645 0.7067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3498 7.1893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3540 8.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0974 1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0948 6.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1486 8.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9428 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4617 0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6339 5.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2813 6.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7381 7.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3538 9.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1581 2.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5442 2.3856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6885 0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7825 6.9242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9776 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3224 3.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 0.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9604 6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4901 4.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5154 3.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 3.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1903 -0.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2795 0.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5040 7.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 6.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3062 4.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0595 4.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9763 2.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2278 4.1249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6903 3.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9907 5.4096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7534 6.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6989 3.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7266 4.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9287 2.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3835 4.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5487 4.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3910 5.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9314 4.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7235 7.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5013 6.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5706 5.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 4.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 26 33 1 0 0 0 0 27 34 2 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 31 38 1 0 0 0 0 31 39 1 0 0 0 0 35 40 1 0 0 0 0 36 41 1 0 0 0 0 37 42 1 0 0 0 0 38 43 1 0 0 0 0 39 44 1 0 0 0 0 40 45 1 0 0 0 0 40 46 1 0 0 0 0 41 47 2 0 0 0 0 41 48 1 0 0 0 0 42 49 1 0 0 0 0 43 50 2 0 0 0 0 43 51 1 0 0 0 0 44 52 2 0 0 0 0 44 53 1 0 0 0 0 45 54 2 0 0 0 0 45 55 1 0 0 0 0 46 56 1 0 0 0 0 48 57 1 0 0 0 0 49 58 1 0 0 0 0 51 59 1 0 0 0 0 51 60 1 0 0 0 0 53 61 1 0 0 0 0 55 62 1 0 0 0 0 56 63 1 0 0 0 0 56 64 1 0 0 0 0 58 65 1 0 0 0 0 59 66 1 0 0 0 0 60 67 1 0 0 0 0 62 68 1 0 0 0 0 65 69 1 0 0 0 0 66 70 2 0 0 0 0 67 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 73 75 1 0 0 0 0 73 76 1 0 0 0 0 74 77 1 0 0 0 0 62 66 1 0 0 0 0 M END > CHEBI:207493 > CLP1 > 2 > methyl 3-[3-butan-2-yl-9-(2-methoxy-2-oxoethyl)-6,12,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoate > C57H101N7O13 > 1092.471 > 1091.74574 > 0 > O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CC(=O)OC)=O)CC(C)C)=O)CC(C)C)CCC(=O)OC)CCCCCCCCCCCCC > InChI=1S/C57H101N7O13/c1-14-16-17-18-19-20-21-22-23-24-25-26-40-33-47(65)58-41(27-28-48(66)75-12)51(68)59-42(29-35(3)4)52(69)60-43(30-36(5)6)53(70)61-44(31-37(7)8)54(71)63-46(34-49(67)76-13)55(72)62-45(32-38(9)10)56(73)64-50(39(11)15-2)57(74)77-40/h35-46,50H,14-34H2,1-13H3,(H,58,65)(H,59,68)(H,60,69)(H,61,70)(H,62,72)(H,63,71)(H,64,73) > LKVZBBFJTIPHSM-UHFFFAOYSA-N $$$$