11169518 -OEChem-04252402302D 60 64 0 1 0 0 0 0 0999 V2000 2.0000 0.7349 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 -5.3811 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 2.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -1.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7196 -0.3379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7196 1.2715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.9668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -1.5332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 3.0546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4073 4.0056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3032 0.4668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 4.8147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 -0.0277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1183 -3.6210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 0.9668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0413 -0.0332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9073 1.4668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9073 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 2.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3032 0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7163 3.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 4.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -2.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -3.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 1.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5002 -3.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 -0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8092 -4.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 -4.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5044 0.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5782 -0.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3704 1.7768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5088 -1.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3058 -1.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5738 1.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7768 1.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9632 0.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5647 -0.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9122 -0.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -1.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5086 2.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3060 2.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6132 1.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6132 -0.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0717 5.3811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 4.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 -0.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 1.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 -3.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9106 -3.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 -0.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1737 -5.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 35 1 0 0 0 0 3 27 2 0 0 0 0 4 28 2 0 0 0 0 5 20 1 0 0 0 0 5 24 1 0 0 0 0 5 46 1 0 0 0 0 6 19 1 0 0 0 0 6 24 2 0 0 0 0 7 21 1 0 0 0 0 7 27 1 0 0 0 0 7 47 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 8 48 1 0 0 0 0 9 23 1 0 0 0 0 9 26 1 0 0 0 0 9 49 1 0 0 0 0 10 25 1 0 0 0 0 10 26 2 0 0 0 0 11 24 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 26 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 29 1 0 0 0 0 13 34 1 0 0 0 0 13 55 1 0 0 0 0 14 30 1 0 0 0 0 14 36 1 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 1 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 6 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 25 50 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 56 1 0 0 0 0 32 35 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 34 59 1 0 0 0 0 35 36 2 0 0 0 0 36 60 1 0 0 0 0 M END > 11169518 > 1 > 811 > 6 > 8 > 7 > AAADceB78AAAGAAAAAAAAAAAAAAAAWLFiwAwAAAAAAAAAFgB/gAAHgBQAAABrQjBlgQ9kJbJkACoATV3dACCgC23EqQB2aG4dPiIaPLA3bGUIQholgLIy6cYgcAOgAAAAAAAAAAQAASAACQAQAAAAAAAAA== > N-[[(5S,6R,7R)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide > N-[[(5S,6R,7R)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide > N-[[(5S,6R,7R)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide > N-[[(5S,6R,7R)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide > N-[[(5S,6R,7R)-2-azanyl-7-(2-azanyl-1H-imidazol-5-yl)-6-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromanyl-1H-pyrrole-2-carboxamide > N-[[(5S,6R,7R)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide > InChI=1S/C22H24Br2N10O2/c23-10-2-14(27-5-10)19(35)29-4-9-1-13-18(34-22(26)32-13)17(16-8-31-21(25)33-16)12(9)7-30-20(36)15-3-11(24)6-28-15/h2-3,5-6,8-9,12,17,27-28H,1,4,7H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t9-,12-,17-/m1/s1 > DMMLTRAQSJWUHT-OGTWGDGJSA-N > 1.4 > 620.04300 > C22H24Br2N10O2 > 620.3 > C1C(C(C(C2=C1NC(=N2)N)C3=CN=C(N3)N)CNC(=O)C4=CC(=CN4)Br)CNC(=O)C5=CC(=CN5)Br > C1[C@@H]([C@H]([C@@H](C2=C1NC(=N2)N)C3=CN=C(N3)N)CNC(=O)C4=CC(=CN4)Br)CNC(=O)C5=CC(=CN5)Br > 199 > 618.04505 > 0 > 36 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 25 8 10 26 8 13 29 8 13 34 8 14 30 8 14 36 8 15 21 5 16 22 6 17 23 6 19 20 8 23 25 8 29 31 8 30 32 8 31 33 8 32 35 8 33 34 8 35 36 8 5 20 8 5 24 8 6 19 8 6 24 8 9 23 8 9 26 8 $$$$