44246590 -OEChem-05112417262D 91 94 0 1 0 0 0 0 0999 V2000 2.8562 -5.7089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 -6.7089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7231 2.8615 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9543 0.3299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -1.2089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 5.0997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2144 -0.9301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4242 6.7089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9188 5.7383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4141 3.8126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5421 1.1389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1353 2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.6211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2231 4.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7231 2.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 3.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5366 1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.9301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2633 -0.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3416 5.5065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4543 -2.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9433 0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 5.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 -1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4461 6.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 5.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 -2.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6095 5.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 -3.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -4.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -4.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -5.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -5.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 -5.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9757 3.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9255 1.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 2.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6213 1.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5123 -1.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6380 4.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8082 4.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0191 0.9465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3478 0.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 2.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3296 2.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5985 3.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3421 4.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8434 4.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3768 3.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2844 1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 -1.1217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 4.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -2.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0649 -2.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4396 0.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 0.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6260 1.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4888 2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6228 2.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3769 -0.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1955 -0.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5097 0.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 4.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8798 -1.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3574 -2.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 -2.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3813 7.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8261 6.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3762 -2.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 -2.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3432 -1.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 0.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 6.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 5.8165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2995 4.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8556 4.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 3.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0956 4.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2832 6.2399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 5.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -3.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9912 -3.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9912 -5.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 40 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 11 1 0 0 0 0 4 15 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 30 1 0 0 0 0 7 21 2 0 0 0 0 7 77 1 0 0 0 0 8 29 1 0 0 0 0 8 30 2 0 0 0 0 9 30 1 0 0 0 0 9 87 1 0 0 0 0 9 88 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 6 0 0 0 10 41 1 0 0 0 0 11 12 1 1 0 0 0 11 19 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 45 1 1 0 0 0 14 17 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 56 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 6 0 0 0 20 57 1 0 0 0 0 22 27 1 6 0 0 0 22 29 1 0 0 0 0 22 58 1 0 0 0 0 23 31 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 32 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 31 35 1 0 0 0 0 31 75 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 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 89 1 0 0 0 0 37 39 2 0 0 0 0 37 90 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 91 1 0 0 0 0 M END > 44246590 > 1 > 867 > 3 > 2 > 12 > AAADcfB7gAAGAAAAAAAAAAAAAAAAAWLEAAAwAAAAAAAAAAABAAAAHAIQAAAADSrBGCQzAINAAACgAiBCJAACAAGgBQAJikAIAoiIYCKBmxGUIAAogAKIiAcQgIAOBAAAIAAAAAQIAABAAAAACAAAAAAAAA== > (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-4-[(1R)-1-methylpropyl]imidazolidin-1-yl]-3-methyl-butyl]pyrrolidin-2-yl]methyl]-5-isopropyl-4,5-dihydroimidazol-2-amine > (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-1-imidazolidinyl]-3-methylbutyl]-2-pyrrolidinyl]methyl]-5-propan-2-yl-4,5-dihydroimidazol-2-amine > (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]-2-iminoimidazolidin-1-yl]-3-methylbutyl]pyrrolidin-2-yl]methyl]-5-propan-2-yl-4,5-dihydroimidazol-2-amine > (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]-2-iminoimidazolidin-1-yl]-3-methylbutyl]pyrrolidin-2-yl]methyl]-5-propan-2-yl-4,5-dihydroimidazol-2-amine > (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-azanylidene-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]imidazolidin-1-yl]-3-methyl-butyl]pyrrolidin-2-yl]methyl]-5-propan-2-yl-4,5-dihydroimidazol-2-amine > [(5R)-1-[[(2S)-1-[(2R)-2-[(4R)-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-4-[(1R)-1-methylpropyl]imidazolidin-1-yl]-3-methyl-butyl]pyrrolidin-2-yl]methyl]-5-isopropyl-2-imidazolin-2-yl]amine > InChI=1S/C31H51Cl2N7/c1-7-22(6)29-19-40(31(35)38(29)14-12-23-10-11-25(32)26(33)15-23)28(21(4)5)18-37-13-8-9-24(37)17-39-27(20(2)3)16-36-30(39)34/h10-11,15,20-22,24,27-29,35H,7-9,12-14,16-19H2,1-6H3,(H2,34,36)/t22-,24+,27+,28+,29+/m1/s1 > HLJVKFVYBQDSAX-ISVKHVEWSA-N > 6.6 > 591.3583000 > C31H51Cl2N7 > 592.7 > CCC(C)C1CN(C(=N)N1CCC2=CC(=C(C=C2)Cl)Cl)C(CN3CCCC3CN4C(CN=C4N)C(C)C)C(C)C > CC[C@@H](C)[C@@H]1CN(C(=N)N1CCC2=CC(=C(C=C2)Cl)Cl)[C@@H](CN3CCC[C@H]3CN4[C@@H](CN=C4N)C(C)C)C(C)C > 75.2 > 591.3583000 > 0 > 40 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 6 11 12 5 13 45 5 20 28 6 22 27 6 35 36 8 35 37 8 36 38 8 37 39 8 38 40 8 39 40 8 $$$$