CDK 1030232202 71 74 0 0 0 0 0 0 0 0999 V2000 4.1994 2.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 2.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6893 1.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4242 3.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1021 3.5196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8489 3.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9403 0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8960 3.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0734 4.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0491 3.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5258 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8154 4.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7198 3.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 -1.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2286 -1.0689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4842 3.3881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 4.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 0.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0337 -1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1063 2.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9162 4.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2932 5.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8536 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 -2.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7155 3.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5188 2.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4736 5.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5058 4.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0782 -1.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5998 -0.8064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2521 -2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7354 1.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2862 2.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 6.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8989 5.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3088 -0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5614 -1.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2067 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1283 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5228 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4075 3.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 6.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -2.9600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 -2.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0962 -0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3410 0.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1297 1.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7031 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 3.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1749 3.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4723 6.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6914 -2.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -3.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -3.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 6.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5198 -1.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0783 -3.2570 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 8 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 2 0 0 0 0 25 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 30 38 2 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 33 41 1 0 0 0 0 33 42 1 0 0 0 0 34 43 1 0 0 0 0 35 44 2 0 0 0 0 36 45 2 0 0 0 0 36 46 1 0 0 0 0 37 47 1 0 0 0 0 39 48 1 0 0 0 0 40 49 1 0 0 0 0 40 50 1 0 0 0 0 41 51 1 0 0 0 0 41 52 1 0 0 0 0 42 53 1 0 0 0 0 43 54 2 0 0 0 0 46 55 1 0 0 0 0 46 56 1 0 0 0 0 47 57 2 0 0 0 0 47 58 1 0 0 0 0 48 59 1 0 0 0 0 51 60 2 0 0 0 0 52 61 1 0 0 0 0 52 62 1 0 0 0 0 53 63 1 0 0 0 0 53 64 1 0 0 0 0 54 65 1 0 0 0 0 55 66 1 0 0 0 0 55 67 1 0 0 0 0 56 68 1 0 0 0 0 65 69 1 0 0 0 0 66 70 2 0 0 0 0 66 71 1 0 0 0 0 44 54 1 0 0 0 0 48 51 1 0 0 0 0 59 62 1 0 0 0 0 67 68 1 0 0 0 0 M END > CHEBI:221425 > Cyanopeptolin 997 C > 2 > 2-[(1-acetylpyrrolidine-2-carbonyl)amino]-N-[21-hydroxy-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]pentanediamide > C49H75N9O13 > 998.189 > 997.54843 > 0 > O=C1OC(C(NC(=O)C(NC(=O)C2N(C(=O)C)CCC2)CCC(=O)N)C(=O)NC(C(=O)NC3CCC(N(C(C(N(C(C(NC1C(C)C)=O)CC4=CC=C(OC)C=C4)C)=O)CC(C)C)C3=O)O)CC(C)C)C > InChI=1S/C49H75N9O13/c1-25(2)22-34-43(63)52-33-18-20-39(61)58(47(33)67)37(23-26(3)4)48(68)56(9)36(24-30-13-15-31(70-10)16-14-30)45(65)54-40(27(5)6)49(69)71-28(7)41(46(66)53-34)55-42(62)32(17-19-38(50)60)51-44(64)35-12-11-21-57(35)29(8)59/h13-16,25-28,32-37,39-41,61H,11-12,17-24H2,1-10H3,(H2,50,60)(H,51,64)(H,52,63)(H,53,66)(H,54,65)(H,55,62) > VSSCJBFQSLJQLW-UHFFFAOYSA-N $$$$