CDK 1030232203 52 55 0 0 0 0 0 0 0 0999 V2000 7.8592 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2882 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0728 -1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.0000 0.0000 N 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 9.9846 -2.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0845 -2.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5578 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0027 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7338 -2.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0027 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7172 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2882 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4316 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4316 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 -4.9500 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 7.1448 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4316 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2163 -0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1461 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4316 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1290 -1.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2235 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7012 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1461 -2.4750 0.0000 C 0 0 2 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 7.8592 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8689 -1.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5262 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8606 -2.8875 0.0000 C 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 8.5737 2.0625 0.0000 C 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 1.4290 -0.4125 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 0.0000 -0.4125 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 4 2 1 0 0 0 0 5 3 1 1 0 0 0 3 6 1 0 0 0 0 4 7 1 1 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 12 16 2 0 0 0 0 17 12 1 0 0 0 0 13 18 1 0 0 0 0 19 15 1 0 0 0 0 15 20 1 0 0 0 0 17 21 1 1 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 24 18 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 6 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 24 29 1 6 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 27 33 2 0 0 0 0 27 34 1 0 0 0 0 28 35 2 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 29 38 1 0 0 0 0 39 30 1 0 0 0 0 40 32 1 0 0 0 0 34 41 2 0 0 0 0 35 42 1 0 0 0 0 36 43 2 0 0 0 0 37 44 2 0 0 0 0 39 45 1 1 0 0 0 40 46 1 6 0 0 0 41 47 1 0 0 0 0 42 48 2 0 0 0 0 47 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 10 11 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 43 48 1 0 0 0 0 M END > CHEBI:222868 > ADEP 1 > 2 > (2E,4E,6E)-N-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,9R,13S,16S,19S)-9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]octa-2,4,6-trienamide > C38H50N6O8 > 718.852 > 718.36901 > 0 > O=C1N2[C@H](C(=O)N([C@H](C(=O)N[C@@H](C)C(N3[C@H](C(OC[C@@H]1NC(=O)[C@@H](NC(=O)/C=C/C=C/C=C/C)CC4=CC=CC=C4)=O)C[C@@H](C)C3)=O)C)C)CCC2 > InChI=1S/C38H50N6O8/c1-6-7-8-9-13-18-32(45)40-28(21-27-15-11-10-12-16-27)34(47)41-29-23-52-38(51)31-20-24(2)22-44(31)35(48)25(3)39-33(46)26(4)42(5)37(50)30-17-14-19-43(30)36(29)49/h6-13,15-16,18,24-26,28-31H,14,17,19-23H2,1-5H3,(H,39,46)(H,40,45)(H,41,47)/b7-6+,9-8+,18-13+/t24-,25+,26+,28+,29+,30+,31+/m1/s1 > ZGRSXMWWGUOTAO-VIEJTCJKSA-N $$$$