Mrv1533004171518022D 28 30 0 0 0 0 999 V2000 3.5284 1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 0.4935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6013 -0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4056 0.1343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7235 -1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7710 -0.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3322 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1365 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0890 -1.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 -0.8079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 -0.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 -1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 -1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 -0.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 -0.8079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4556 -0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6513 0.1343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4082 0.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9693 1.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3962 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6393 1.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4436 2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0782 2.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 0.4935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7851 0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 13 14 1 0 0 0 0 3 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 0 0 0 0 2 28 1 0 0 0 0 17 28 2 0 0 0 0 M END > NP0070642 > NP-MRD > CC1C2=C(CCC3=C1NC(NC(=O)C=C(C)C)=N3)N=C(NC(=O)C=C(C)C)N2 > InChI=1S/C20H26N6O2/c1-10(2)8-15(27)23-19-21-13-6-7-14-18(12(5)17(13)25-19)26-20(22-14)24-16(28)9-11(3)4/h8-9,12H,6-7H2,1-5H3,(H2,21,23,25,27)(H2,22,24,26,28) > CHNPTBHUXVPMAL-UHFFFAOYSA-N > C20H26N6O2 > 382.468 > 382.211724101 > 4 > 54 > 43.8186624736077 > 1 > 4 > 0 > 1 > 3-methyl-N-[2-methyl-12-(3-methylbut-2-enamido)-4,6,11,13-tetraazatricyclo[8.3.0.0³,⁷]trideca-1(10),3(7),5,11-tetraen-5-yl]but-2-enamide > 2.11 > 2.690264768333334 > -4.04 > 0 > 3 > 0 > 10.52177614282324 > 9.927114873424422 > 3.6467302126763967 > 115.56 > 111.45219999999999 > 4 > 1 > 3.51e-02 g/l > 3-methyl-N-[2-methyl-12-(3-methylbut-2-enamido)-4,6,11,13-tetraazatricyclo[8.3.0.0³,⁷]trideca-1(10),3(7),5,11-tetraen-5-yl]but-2-enamide > 0 > NP0070642 > Zoamide A $$$$