23 22 0 0000 0 0 0 0 0999 V2000 9.3014 -1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.6481 -1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.1494 -2.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.4534 -2.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.6481 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.9974 -1.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.4961 -3.3707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 12.8001 -2.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.1494 -3.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.3441 -4.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3441 -5.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.4054 -3.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9974 -4.0960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.4054 -2.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.8454 -3.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.8027 -2.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.6934 -4.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4987 -3.4987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.3467 -4.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3467 -5.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.1520 -3.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1520 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 1 4 1 0 2 4 1 0 2 5 2 0 2 8 1 0 3 6 2 0 3 9 1 0 4 7 1 0 7 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 14 1 0 13 15 1 0 15 17 1 0 15 16 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 21 23 1 0 M END > InChI=1S/C12H20N4O7/c1-5(13)10(20)14-4-8(17)15-6(2)11(21)16-7(12(22)23)3-9(18)19/h5-7H,3-4,13H2,1-2H3,(H,14,20)(H,15,17)(H,16,21)(H,18,19)(H,22,23) > BXONTQPSGHNZLV-UHFFFAOYSA-N > 1/1/N:23,14,1,17,21,12,4,15,3,19,10,2,22,18,13,7,16,6,9,20,11,5,8/E:(18,19)(22,23)/rA:23nCCCCOONOOCOCNCCOCNCOCNC/rB:;s1;s1s2;d2;d3;s4;s2;s3;s7;d10;s10;s12;s12;s13;d15;s15;s17;s18;d19;s19;s21;s21;/rC:9.3014,-1.3653,0;11.6481,-1.3653,0;8.1494,-2.048,0;10.4534,-2.048,0;11.6481,0,0;6.9974,-1.3653,0;10.4961,-3.3707,0;12.8001,-2.048,0;8.1494,-3.3707,0;9.3441,-4.096,0;9.3441,-5.4187,0;8.4054,-3.712,0;6.9974,-4.096,0;8.4054,-2.3894,0;5.8454,-3.456,0;5.8027,-2.1334,0;4.6934,-4.1387,0;3.4987,-3.4987,0;2.3467,-4.1814,0;2.3467,-5.5467,0;1.152,-3.5414,0;0,-4.1814,0;1.152,-2.2187,0; > C12 H20 N4 O7 > 332.3098 > C(C(NC(C(C)NC(=O)CNC(C(C)N)=O)=O)C(O)=O)C(O)=O > 16578896 $$$$