Mrv1652304282218052D 30 33 0 0 1 0 999 V2000 3.9409 2.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 1.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 0.3967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7851 0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 1.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 2.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 1.6329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4556 0.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 0.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6513 0.6907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0902 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 2.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7141 1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 2.5051 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 4.9800 0.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6013 0.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 1.6329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4056 0.6907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7235 2.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7710 1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3322 1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1365 1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3797 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8185 0.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0142 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 4 18 1 6 0 0 0 3 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 2 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 M END > NP0070643 > NP-MRD > C[C@@H]1C2=C(CCC3=C1NC(NC(=O)C1=CC=CC=C1)=N3)N=C(NC(=O)C=C(C)C)N2 > InChI=1S/C22H24N6O2/c1-12(2)11-17(29)25-21-23-15-9-10-16-19(13(3)18(15)26-21)27-22(24-16)28-20(30)14-7-5-4-6-8-14/h4-8,11,13H,9-10H2,1-3H3,(H2,23,25,26,29)(H2,24,27,28,30)/t13-/m1/s1 > FGULWWOROLZDAM-CYBMUJFWSA-N > C22H24N6O2 > 404.474 > 404.196074037 > 4 > 54 > 45.78206117709408 > 1 > 4 > 0 > 1 > N-[(2R)-2-methyl-12-(3-methylbut-2-enamido)-4,6,11,13-tetraazatricyclo[8.3.0.0^{3,7}]trideca-1(10),3(7),5,11-tetraen-5-yl]benzamide > 2.78 > 3.158149933333334 > -4.29 > 0 > 4 > 0 > 11.644493426816787 > 10.215018500182458 > 3.642319066516124 > 115.56 > 117.5195 > 4 > 1 > 2.07e-02 g/l > N-[(2R)-2-methyl-12-(3-methylbut-2-enamido)-4,6,11,13-tetraazatricyclo[8.3.0.0^{3,7}]trideca-1(10),3(7),5,11-tetraen-5-yl]benzamide > 0 > NP0070643 > Zoamide B $$$$