24 23 0 0000 0 0 0 0 0999 V2000 2.4476 -2.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6714 -2.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2784 -3.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6714 -4.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.5022 -3.1819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 6.1190 -2.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.3428 -2.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.9498 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.1736 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7904 -2.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.7904 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.5022 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.1190 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.0546 -1.0672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.8308 -3.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6168 -3.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.2392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0.6168 -5.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.8308 -5.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.4476 -6.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.4476 -4.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.2784 -1.0672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 24 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 6 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 21 23 1 0 M END > InChI=1S/C13H22N4O7/c1-6(14)11(21)17-8(3-4-10(19)20)12(22)15-5-9(18)16-7(2)13(23)24/h6-8H,3-5,14H2,1-2H3,(H,15,22)(H,16,18)(H,17,21)(H,19,20)(H,23,24) > ZHINKAGINUHQDO-UHFFFAOYSA-N > 1/1/N:1,20,7,8,15,2,19,6,16,9,3,12,21,24,14,18,5,17,10,11,4,13,22,23/E:(19,20)(23,24)/rA:24nCCCONCCCCOOCONCCONCCCOON/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s9;s6;d12;s12;s14;s15;d16;s16;s18;s19;s19;d21;s21;s2;/rC:2.4476,-2.1245,0;3.6714,-2.1245,0;4.2784,-3.1819,0;3.6714,-4.2392,0;5.5022,-3.1819,0;6.119,-2.1245,0;7.3428,-2.1245,0;7.9498,-1.0672,0;9.1736,-1.0672,0;9.7904,-2.1245,0;9.7904,0,0;5.5022,-1.0672,0;6.119,0,0;3.0546,-1.0672,0;1.8308,-3.1819,0;.6168,-3.1819,0;0,-2.1245,0;0,-4.2392,0;.6168,-5.3064,0;0,-6.3637,0;1.8308,-5.3064,0;2.4476,-6.3637,0;2.4476,-4.2392,0;4.2784,-1.0672,0; > C13 H22 N4 O7 > 346.3364 > CC(N)C(NC(C(NCC(NC(C(O)=O)C)=O)=O)CCC(O)=O)=O > 16024953 $$$$