34 37 0 0001 0 0 0 0 0999 V2000 4.4249 -8.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7665 -7.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.8230 -6.1493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.1809 -4.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4498 -4.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3933 -5.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.8077 -3.2373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 7.0928 -2.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.1493 -1.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 7.7436 -4.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.4019 -5.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.8986 -3.3837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 10.2326 -3.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.8995 -4.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.2326 -5.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 12.2335 -4.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.8995 -2.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.2335 -2.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.8842 -1.0737 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 14.2182 -1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9991 -2.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.2680 -1.7407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 16.2680 -0.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 14.9991 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 10.2326 -1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.8986 -1.0737 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 8.2316 -2.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.2230 -1.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 3.2373 -3.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4325 -2.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2450 -2.0172 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 1.3177 -2.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.7493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.9196 -4.1321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 29 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 6 8 10 1 0 8 27 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 27 1 0 13 14 1 0 13 17 2 0 14 15 2 0 14 16 1 0 17 18 1 0 17 25 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 24 1 0 21 22 1 0 22 23 2 0 23 24 1 0 25 26 1 0 26 27 1 0 27 28 1 6 29 30 2 0 29 34 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 2 0 M END > InChI=1S/C16H15N7O5S4/c1-28-21-9(7-5-31-16(17)19-7)12(24)20-10-13(25)23-11(15(26)27)6(4-30-14(10)23)3-29-8-2-18-22-32-8/h2,5,10,14H,3-4H2,1H3,(H2,17,19)(H,20,24)(H,26,27)/b21-9-/t10-,14-/m1/s1 > CXHKZHZLDMQGFF-ZSDSSEDPSA-N > 1/1/N:1,21,18,25,30,17,29,20,4,8,13,5,10,27,14,32,33,22,34,7,3,23,12,6,11,15,16,2,19,26,31,24/E:(26,27)/it:im/rA:34cCONCCONCHCONCCOOCCSCCNNSCSCHCCSCNN/rB:s1;s2;d3;s4;d5;s5;s7;N8;s8;d10;s10;s12;s13;d14;s14;d13;s17;s18;s19;d20;s21;d22;s20s23;s17;s25;s8s12s26;N27;s4;d29;s30;s31;s32;s29d32;/rC:4.4249,-8.378,0;4.7665,-7.0928,0;3.823,-6.1493,0;4.1809,-4.8641,0;5.4498,-4.5225,0;6.3933,-5.466,0;5.8077,-3.2373,0;7.0928,-2.8957,0;6.1493,-1.9522,0;7.7436,-4.0507,0;7.4019,-5.3359,0;8.8986,-3.3837,0;10.2326,-3.3837,0;10.8995,-4.5388,0;10.2326,-5.6775,0;12.2335,-4.5225,0;10.8995,-2.2287,0;12.2335,-2.2287,0;12.8842,-1.0737,0;14.2182,-1.0737,0;14.9991,-2.1474,0;16.268,-1.7407,0;16.268,-.4067,0;14.9991,0,0;10.2326,-1.0737,0;8.8986,-1.0737,0;8.2316,-2.2287,0;7.223,-1.3665,0;3.2373,-3.9206,0;3.4325,-2.6191,0;2.245,-2.0172,0;1.3177,-2.9608,0;0,-2.7493,0;1.9196,-4.1321,0; > C16 H15 N7 O5 S4 > 513.5942 > CO/N=C(/C1N=C(N)SC=1)\C(N[C@]1([C@@]2([H])SCC(CSC3SN=NC=3)=C(C(O)=O)N2C1=O)[H])=O > 4891670 $$$$