CDK 1029232202 56 58 0 0 0 0 0 0 0 0999 V2000 17.7467 -1.5366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5147 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1194 -1.7964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8762 -2.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9352 -1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8619 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2579 0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3477 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1474 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0463 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1474 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4329 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2895 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2895 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2895 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2895 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4316 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9569 2.5474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6220 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0246 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7020 3.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8770 3.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1869 3.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0074 3.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8513 4.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3429 3.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4923 4.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3363 5.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1567 5.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -5.3625 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 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 37 42 1 0 0 0 0 38 43 2 0 0 0 0 40 44 1 0 0 0 0 42 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 9 11 1 0 0 0 0 31 32 1 0 0 0 0 43 45 1 0 0 0 0 M END > CHEBI:203942 > BE-32030 E > 2 > [4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 2-[[2-(2-hydroxyphenyl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-6-[hydroxy-[(Z)-tetradec-5-enoyl]amino]hexanoate > C41H63N5O10 > 785.980 > 785.45749 > 0 > O=C1N(O)CCCCC1NC(=O)CC(OC(=O)C(NC(=O)C2(N=C(C3=C(O)C=CC=C3)OC2)C)CCCCN(O)C(=O)CCC/C=C\CCCCCCCC)C > InChI=1S/C41H63N5O10/c1-4-5-6-7-8-9-10-11-12-13-14-25-36(49)45(53)26-19-18-23-33(43-40(52)41(3)29-55-37(44-41)31-21-15-16-24-34(31)47)39(51)56-30(2)28-35(48)42-32-22-17-20-27-46(54)38(32)50/h11-12,15-16,21,24,30,32-33,47,53-54H,4-10,13-14,17-20,22-23,25-29H2,1-3H3,(H,42,48)(H,43,52)/b12-11- > RQUNTWFQXNRDCK-QXMHVHEDSA-N $$$$