Mrv1652309092212402D 37 41 0 0 1 0 999 V2000 4.9511 -1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1664 -1.8495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 -2.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3964 -3.3015 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0865 -2.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 -1.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3556 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9431 4.4425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7681 4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 5.1099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 3.6579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7845 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.9354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 1.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 5.1099 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8809 3.6579 0.0000 N 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 3 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 21 26 1 0 0 0 0 20 27 1 0 0 0 0 12 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 36 37 1 0 0 0 0 32 37 1 0 0 0 0 M END > NP0283417 > NP-MRD > CN1C(Br)=CC=C1C(=O)NC[C@@H]1CC2=C(NC(=N)N2)[C@@H]([C@H]1CNC(=O)C1=CC(Br)=CN1)C1=CNC(=N)N1 > InChI=1S/C23H26Br2N10O2/c1-35-16(2-3-17(35)25)21(37)29-6-10-4-13-19(34-23(27)32-13)18(15-9-31-22(26)33-15)12(10)8-30-20(36)14-5-11(24)7-28-14/h2-3,5,7,9-10,12,18,28H,4,6,8H2,1H3,(H,29,37)(H,30,36)(H3,26,31,33)(H3,27,32,34)/t10-,12-,18-/m0/s1 > FNIAZVGARFHKIF-RSNWOKGLSA-N > C23H26Br2N10O2 > 634.337 > 632.060696 > 8 > 63 > 58.870250419619516 > 0 > 9 > 0 > 0 > 5-bromo-N-{[(5R,6S,7S)-6-{[(4-bromo-1H-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-2,3-dihydro-1H-imidazol-4-yl)-2,3,4,5,6,7-hexahydro-1H-1,3-benzodiazol-5-yl]methyl}-1-methyl-1H-pyrrole-2-carboxamide > -0.22042940866666497 > 1 > 5 > 2 > 14.124315690200309 > 7.404103521305027 > 25.468112865511166 > 174.73999999999998 > 169.16899999999998 > 7 > 0 > 5-bromo-N-{[(5R,6S,7S)-6-{[(4-bromo-1H-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide > 0 > NP0283417 > 5-bromo-n-{[(5r,6s,7s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide $$$$