47 51 0 0001 0 0 0 0 0999 V2000 11.5626 -4.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 20.8391 -4.0008 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 7.9575 -6.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 12.7057 -8.6830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 10.4195 -8.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.8145 -6.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.4072 -2.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.0004 -8.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.9348 -7.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 21.5205 -5.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 20.1796 -2.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 21.9822 -3.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.4195 -6.0011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 7.9575 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 15.0358 -6.0011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 4.5503 -4.7481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1431 -3.9348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0.4616 -6.0011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 10.4195 -4.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.0786 -4.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.0786 -6.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.5626 -6.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.7057 -6.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.7057 -4.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.5626 -8.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8145 -4.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.8927 -6.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.6714 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.6714 -2.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.2448 -6.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.0358 -4.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4072 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.1982 -4.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8145 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5503 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.8025 -6.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.3659 -6.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.2448 -4.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.3659 -4.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8145 -0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5503 -0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.5939 -7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.6714 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.5749 -4.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.7180 -4.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.4195 -3.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 1 24 1 0 2 10 2 0 2 11 2 0 2 12 1 0 2 46 1 0 3 21 2 0 4 25 1 0 5 25 2 0 6 26 2 0 7 32 2 0 8 42 2 0 9 42 1 0 13 19 1 0 13 21 1 0 13 22 1 0 20 14 1 1 14 26 1 0 15 27 1 0 15 30 2 0 15 31 1 0 16 28 1 0 16 32 1 0 17 33 1 0 17 43 1 0 18 36 1 0 18 43 2 0 19 20 1 0 19 47 1 6 20 21 1 0 22 23 2 0 22 25 1 0 23 24 1 0 23 27 1 0 26 28 1 0 28 29 1 6 29 34 2 0 29 35 1 0 30 37 1 0 31 38 2 0 32 33 1 0 33 36 2 0 34 40 1 0 35 41 2 0 36 42 1 0 37 39 2 0 38 39 1 0 39 45 1 0 40 44 2 0 41 44 1 0 45 46 1 0 M CHG 2 4 -1 15 1 M END > InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1 > LNZMRLHZGOBKAN-KAWPREARSA-N > 1/2/N:44,40,41,34,35,37,38,45,30,31,46,27,24,43,39,29,23,28,33,36,20,22,26,32,21,19,42,25,17,18,16,14,15,13,6,7,3,8,9,4,5,10,11,12,1,2/E:(2,3)(4,5)(6,7)(9,10)(38,39)(40,41)(42,43,44)/it:im/CRV:33+1,40-1,46.6/rA:47cSSOO-OOOOOOOONNN+NNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCH/rB:;;;;;;;;d2;d2;s2;;;;;;;s1s13;p14s19;d3s13s20;s13;d22;s1s23;s4d5s22;d6s14;s15s23;s16s26;N28;d15;s15;d7s16;s17s32;d29;s29;s18d33;s30;d31;d37s38;s34;d35;d8s9s36;s17d18;d40s41;s39;s2s45;N19;/rC:11.5626,-4.0667,0;20.8391,-4.0008,0;7.9575,-6.6826,0;12.7057,-8.683,0;10.4195,-8.683,0;6.8145,-6.0011,0;3.4072,-2.7258,0;2.0004,-8.2653,0;3.9348,-7.0783,0;21.5205,-5.2098,0;20.1796,-2.8797,0;21.9822,-3.3413,0;10.4195,-6.0011,0;7.9575,-4.0667,0;15.0358,-6.0011,0;4.5503,-4.7481,0;1.1431,-3.9348,0;.4616,-6.0011,0;10.4195,-4.7481,0;9.0786,-4.7481,0;9.0786,-6.0011,0;11.5626,-6.6826,0;12.7057,-6.0011,0;12.7057,-4.7481,0;11.5626,-8.0235,0;6.8145,-4.7481,0;13.8927,-6.6826,0;5.6714,-4.0667,0;5.6714,-2.6598,0;16.2448,-6.6826,0;15.0358,-4.6822,0;3.4072,-4.0667,0;2.1982,-4.7481,0;6.8145,-2.0004,0;4.5503,-2.0004,0;1.8025,-6.0011,0;17.3659,-6.0011,0;16.2448,-4.0008,0;17.3659,-4.6822,0;6.8145,-.6595,0;4.5503,-.6595,0;2.5939,-7.0783,0;0,-4.7481,0;5.6714,0,0;18.5749,-4.0008,0;19.718,-4.6822,0;10.4195,-3.4072,0; > C28 H26 N6 O10 S2 > 670.6702 > S1CC(C[N+]2C=CC(CCS(O)(=O)=O)=CC=2)=C(C(=O)[O-])N2C([C@H]([C@@]12[H])NC([C@@H](C1C=CC=CC=1)NC(C1=C(C(O)=O)N=CN1)=O)=O)=O > 61863 $$$$