44246584 -OEChem-04192414342D 94 97 0 1 0 0 0 0 0999 V2000 3.1127 -5.7089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -6.7089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9796 2.8615 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2108 0.3299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7108 -1.2089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 5.0997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 6.7089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 -0.9301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 5.7383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6706 3.8126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7986 1.1389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3918 2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9018 -0.6211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4796 4.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9796 2.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 3.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9507 -0.9301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7931 1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5198 -0.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7108 -2.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3809 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7428 -1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 6.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 5.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -2.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2565 -0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3754 1.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -3.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9787 -4.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7108 -4.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9787 -5.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7108 -5.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -5.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2322 3.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0507 0.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9611 2.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8778 1.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -0.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8945 4.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0648 4.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9148 2.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5861 2.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2756 0.9465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6043 0.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 3.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5986 4.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0999 4.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 3.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6222 0.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3503 0.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 4.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9228 -2.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3214 -2.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 0.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9165 0.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5518 2.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8236 2.1152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 4.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 4.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1363 -1.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6139 -2.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 -2.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 7.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 6.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6327 -2.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2342 -2.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 -1.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0649 0.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6668 -0.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 -1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3106 1.1223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9920 1.6741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4402 2.3555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 6.2399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4274 5.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 5.5434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 6.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 6.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4418 -3.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -3.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -5.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 41 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 21 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 6 18 1 0 0 0 0 6 22 1 0 0 0 0 6 29 1 0 0 0 0 7 28 1 0 0 0 0 7 29 2 0 0 0 0 8 21 2 0 0 0 0 8 77 1 0 0 0 0 9 29 1 0 0 0 0 9 84 1 0 0 0 0 9 85 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 6 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 6 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 46 1 1 0 0 0 14 17 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 24 1 0 0 0 0 19 27 1 6 0 0 0 19 57 1 0 0 0 0 20 25 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 22 26 1 6 0 0 0 22 28 1 0 0 0 0 22 60 1 0 0 0 0 23 30 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 32 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 33 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 31 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 30 34 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 31 76 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 37 39 1 0 0 0 0 37 92 1 0 0 0 0 38 40 2 0 0 0 0 38 93 1 0 0 0 0 39 41 2 0 0 0 0 40 41 1 0 0 0 0 40 94 1 0 0 0 0 M END > 44246584 > 1 > 869 > 3 > 2 > 14 > AAADcfB/gAAGAAAAAAAAAAAAAAAAAWLEAAAwAAAAAAAAAAABAAAAHAIQAAAADSrBGCQzAINAAACgAiBCJAACAAGgBQAJikAIAoiIYCKBmxGUIAAogAKIiAcQgIAOBAAAIAAAAAQIAABAAAAACAAAAAAAAA== > (5R)-1-[[(2S)-1-[(2S)-2-[(4R)-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-4-[(1R)-1-methylpropyl]imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-5-isobutyl-4,5-dihydroimidazol-2-amine > (5R)-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-1-imidazolidinyl]pentyl]-2-pyrrolidinyl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine > (5R)-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]-2-iminoimidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine > (5R)-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]-2-iminoimidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine > (5R)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine > [(5R)-1-[[(2S)-1-[(2S)-2-[(4R)-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-4-[(1R)-1-methylpropyl]imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-5-isobutyl-2-imidazolin-2-yl]amine > InChI=1S/C32H53Cl2N7/c1-6-9-26(19-38-14-8-10-25(38)20-40-27(16-22(3)4)18-37-31(40)35)41-21-30(23(5)7-2)39(32(41)36)15-13-24-11-12-28(33)29(34)17-24/h11-12,17,22-23,25-27,30,36H,6-10,13-16,18-21H2,1-5H3,(H2,35,37)/t23-,25+,26+,27-,30+/m1/s1 > DYYNTQLJPFNDIM-MKUCVZMMSA-N > 6.8 > 605.3739501 > C32H53Cl2N7 > 606.7 > CCCC(CN1CCCC1CN2C(CN=C2N)CC(C)C)N3CC(N(C3=N)CCC4=CC(=C(C=C4)Cl)Cl)C(C)CC > CCC[C@@H](CN1CCC[C@H]1CN2[C@@H](CN=C2N)CC(C)C)N3C[C@H](N(C3=N)CCC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CC > 75.2 > 605.3739501 > 0 > 41 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 6 11 20 6 13 46 5 19 27 6 22 26 6 34 37 8 34 38 8 37 39 8 38 40 8 39 41 8 40 41 8 $$$$