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-18.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -18.0225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5539 -19.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2313 -18.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 -20.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 -18.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5177 -14.7349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8213 -14.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9677 -14.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9568 -12.7119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1032 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1032 -10.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9513 -10.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 -10.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0002 -18.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3037 -18.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4609 -18.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6073 -17.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4718 -19.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7645 -18.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6289 -20.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7753 -19.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7320 -14.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5748 -14.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5639 -12.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4283 -14.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4066 -12.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2712 -14.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2603 -12.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0355 -14.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7177 -16.0571 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.6156 -17.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9600 -18.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6569 -17.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 1 19 2 0 0 0 0 21 20 2 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 2 0 0 0 0 6 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 32 31 1 0 0 0 0 29 30 1 0 0 0 0 33 32 1 0 0 0 0 34 29 1 0 0 0 0 34 33 1 0 0 0 0 7 35 2 0 0 0 0 9 36 1 6 0 0 0 38 37 1 0 0 0 0 39 37 2 0 0 0 0 40 38 2 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 42 41 2 0 0 0 0 36 37 1 0 0 0 0 12 43 1 6 0 0 0 45 44 1 0 0 0 0 46 44 2 0 0 0 0 47 45 2 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 49 48 2 0 0 0 0 43 44 1 0 0 0 0 14 50 2 0 0 0 0 52 51 1 0 0 0 0 17 51 1 0 0 0 0 53 52 2 0 0 0 0 54 17 2 0 0 0 0 54 53 1 0 0 0 0 M END > InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1 > ZCIGNRJZKPOIKD-CQXVEOKZSA-N > 1/1/N:23,24,25,42,49,40,41,47,48,38,39,45,46,10,11,27,28,30,34,31,33,36,43,54,2,16,19,52,22,37,44,9,12,1,17,6,7,20,4,14,53,8,21,13,5,3,29,35,26,50,32,15,18,51/E:(1,2)(6,7)(8,9)(10,11)(12,13)(18,19)(20,21)/it:im/rA:54cCCNCNCCNCCCCNCOCCSCCNCCCCOCCNCCOCCOCCCCCCCCCCCCCCOSCNC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;;d1s18;s18;s1d20;s20;s22;s22;s3;d4;P6;s27;s28;s29;s30;s31;s32;s29s33;d7;N9;s36;s37;d37;d38;s39;s40d41;N12;s43;s44;d44;d45;s46;s47d48;d14;s17;s51;d52;d17s53;/rC:4.0787,-16.758,0;5.225,-16.0836,0;6.3822,-16.7392,0;7.5286,-16.0649,0;8.6858,-16.7205,0;9.8321,-16.0461,0;10.9893,-16.7017,0;12.1357,-16.0274,0;13.2929,-16.683,0;14.4392,-16.0086,0;15.5964,-16.6642,0;16.7428,-15.9898,0;17.9,-16.6454,0;19.0463,-15.9711,0;20.2035,-16.6267,0;21.3499,-15.9523,0;22.5071,-16.6079,0;1.9267,-16.7561,0;3.0034,-15.9753,0;2.3366,-18.0214,0;3.6667,-18.0225,0;1.5539,-19.0967,0;.2313,-18.9565,0;2.0938,-20.3122,0;6.393,-18.0692,0;7.5177,-14.7349,0;9.8213,-14.7162,0;10.9677,-14.0418,0;10.9568,-12.7119,0;12.1032,-12.0375,0;12.1032,-10.7075,0;10.9513,-10.0425,0;9.7995,-10.7075,0;9.7995,-12.0375,0;11.0002,-18.0317,0;13.3037,-18.0129,0;14.4609,-18.6685,0;15.6073,-17.9942,0;14.4718,-19.9985,0;16.7645,-18.6499,0;15.6289,-20.6541,0;16.7753,-19.9798,0;16.732,-14.6599,0;15.5748,-14.0043,0;15.5639,-12.6743,0;14.4283,-14.6786,0;14.4066,-12.0187,0;13.2712,-14.0231,0;13.2603,-12.6931,0;19.0355,-14.6411,0;23.7177,-16.0571,0;24.6156,-17.0382,0;23.96,-18.1953,0;22.6569,-17.9294,0; > C40 H53 N7 O5 S2 > 776.0227 > C1(N=C(C(C)C)SC=1)CN(C)C(=O)N[C@@H](CCN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)CC[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1 > 25084912 $$$$