50 59 0 0001 0 0 0 0 0999 V2000 13.9594 -7.9508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 13.9672 -8.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.3847 -7.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.6681 -7.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.2392 -7.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.0971 -7.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 13.2566 -9.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.3925 -8.7631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 14.6856 -9.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.8662 -9.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.0100 -9.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.6897 -10.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.8246 -9.3779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 17.0080 -10.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.3087 -10.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.3216 -11.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.0330 -11.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.7329 -11.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.7166 -10.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.4153 -8.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 13.2161 -10.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.4915 -10.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.4776 -11.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.9232 -10.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.9127 -11.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.1896 -11.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.3483 -12.7159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 14.5183 -12.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.1670 -12.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.3367 -12.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.4915 -12.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.7665 -13.3739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 14.7456 -14.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.4479 -14.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.1730 -14.2324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 16.1957 -13.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.9020 -11.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 16.9205 -13.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 16.8770 -14.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.0197 -14.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 13.7461 -13.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 15.8982 -13.6920 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 15.0724 -13.6878 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 15.6098 -15.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.2508 -8.2369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 15.0766 -8.2369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 14.4468 -10.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.8798 -6.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.2944 -6.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.6769 -6.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11 12 1 0 25 24 2 0 24 21 1 0 25 26 1 0 1 5 1 0 1 2 1 0 26 27 1 0 27 29 1 0 28 25 1 1 28 29 1 0 12 15 1 1 14 13 1 0 13 11 1 0 29 32 1 0 31 30 1 0 30 28 1 0 31 32 1 0 3 6 2 0 1 4 1 0 14 15 2 0 2 7 2 0 15 16 1 0 8 9 1 0 31 36 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 12 28 1 0 16 17 2 0 30 37 1 6 2 9 1 0 36 38 2 0 17 18 1 0 35 39 1 0 8 3 1 0 33 40 2 0 18 19 2 0 29 41 1 6 19 14 1 0 31 42 1 1 3 4 1 0 42 43 1 0 34 43 1 0 11 20 1 6 34 44 1 6 9 10 1 0 4 45 1 1 10 12 1 0 45 46 1 0 9 46 1 1 21 22 2 0 10 47 1 6 11 8 1 0 4 48 1 0 22 23 1 0 48 49 1 0 23 26 2 0 48 50 1 0 M END > InChI=1S/C31H30N6O7S4/c1-13(38)29-25(44)37-21-28(15-10-6-8-12-17(15)33-21,19(40)31(37,48-46-29)24(43)35(29)4)27-14-9-5-7-11-16(14)32-20(27)36-22(41)26(2)34(3)23(42)30(36,18(27)39)47-45-26/h5-13,18-21,32-33,38-40H,1-4H3/t13?,18-,19-,20+,21+,26+,27+,28+,29-,30-,31-/m0/s1 > PRYIVLXRWBBBJH-HRANWFEFSA-N > 1/0/N:50,44,39,5,21,17,22,18,24,16,23,19,48,25,15,26,14,30,10,29,11,33,36,2,3,34,28,12,4,31,9,27,13,35,1,32,8,49,37,47,40,38,7,6,43,45,42,46/it:im/rA:50nNCCCCOONCCCCNCCCCCCHCCCCCCNCCCCNCCNCOOCOHSSCSSOCOC/rB:s1;;s1s3;s1;d3;d2;s3;s2s8;s9;s8;s10s11;s11;s13;P12d14;s15;d16;s17;s14d18;N11;;d21;s22;s21;d24;d23s25;s26;s12p25;s27s28;s28;s30;s29s31;s32;s33;s34;s31s35;N30;d36;s35;d33;N29;P31;s34s42;N34;P4;P9s45;N10;s4;s48;s48;/rC:13.9594,-7.9508,0;13.9672,-8.7765,0;15.3847,-7.9373,0;14.6681,-7.527,0;13.2392,-7.5468,0;16.0971,-7.5198,0;13.2566,-9.1972,0;15.3925,-8.7631,0;14.6856,-9.1827,0;14.8662,-9.9846,0;16.01,-9.3058,0;15.6897,-10.0583,0;16.8246,-9.3779,0;17.008,-10.1749,0;16.3087,-10.5924,0;16.3216,-11.4049,0;17.033,-11.8007,0;17.7329,-11.3783,0;17.7166,-10.5673,0;16.4153,-8.5872,0;13.2161,-10.2551,0;12.4915,-10.6561,0;12.4776,-11.4821,0;13.9232,-10.6774,0;13.9127,-11.5023,0;13.1896,-11.904,0;13.3483,-12.7159,0;14.5183,-12.0659,0;14.167,-12.8124,0;15.3367,-12.1692,0;15.4915,-12.9795,0;14.7665,-13.3739,0;14.7456,-14.1945,0;15.4479,-14.6268,0;16.173,-14.2324,0;16.1957,-13.4057,0;15.902,-11.5672,0;16.9205,-13.0102,0;16.877,-14.6641,0;14.0197,-14.588,0;13.7461,-13.5251,0;15.8982,-13.692,0;15.0724,-13.6878,0;15.6098,-15.4365,0;14.2508,-8.2369,0;15.0766,-8.2369,0;14.4468,-10.6975,0;14.8798,-6.7289,0;14.2944,-6.1464,0;15.6769,-6.5131,0; > C31 H30 N6 O7 S4 > 726.8659 > N1([C@@]2(C(C)O)SS[C@@]3([C@@H](O)[C@]4([C@]56[C@H](O)[C@]78SS[C@@](C)(N(C)C7=O)C(=O)N8[C@@]5([H])NC5=CC=CC=C56)C5C=CC=CC=5N[C@@]4(N3C2=O)[H])C1=O)C |&1:1,7,8,10,11,12,14,17,26,42| > 24720604 $$$$