9552081 -OEChem-05092409132D 114113 0 1 0 0 0 0 0999 V2000 16.9914 4.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9287 17.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9287 12.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0627 14.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0627 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7948 14.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7948 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1967 17.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1967 12.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5268 15.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5268 10.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 16.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 11.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 14.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 6.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 6.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 6.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9287 16.2400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9287 11.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0627 15.7400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0627 10.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7948 15.7400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7948 10.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1967 16.2400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1967 11.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6608 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6608 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 15.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3918 16.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4657 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5996 15.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5996 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3317 15.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2578 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 16.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0593 16.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2622 16.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0593 11.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2622 11.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4657 17.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4657 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5258 14.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5258 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3317 14.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3317 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 17.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 16.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 10.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9277 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9277 10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 59 1 0 0 0 0 2 60 1 0 0 0 0 27 3 1 6 0 0 0 3 81 1 0 0 0 0 28 4 1 6 0 0 0 4 82 1 0 0 0 0 29 5 1 6 0 0 0 5 83 1 0 0 0 0 30 6 1 6 0 0 0 6 84 1 0 0 0 0 31 7 1 1 0 0 0 7 85 1 0 0 0 0 32 8 1 1 0 0 0 8 86 1 0 0 0 0 33 9 1 6 0 0 0 9 87 1 0 0 0 0 34 10 1 6 0 0 0 10 88 1 0 0 0 0 11 35 1 0 0 0 0 11 93 1 0 0 0 0 12 36 1 0 0 0 0 12 94 1 0 0 0 0 13 41 1 0 0 0 0 13 95 1 0 0 0 0 14 42 1 0 0 0 0 14 96 1 0 0 0 0 15 41 2 0 0 0 0 16 42 2 0 0 0 0 17 43 1 0 0 0 0 17 45 2 0 0 0 0 18 44 1 0 0 0 0 18 46 2 0 0 0 0 19 45 1 0 0 0 0 19 97 1 0 0 0 0 19 98 1 0 0 0 0 20 46 1 0 0 0 0 20 99 1 0 0 0 0 20100 1 0 0 0 0 21 45 1 0 0 0 0 21 47 2 0 0 0 0 22 46 1 0 0 0 0 22 48 2 0 0 0 0 23 47 1 0 0 0 0 23 49 1 0 0 0 0 23101 1 0 0 0 0 24 48 1 0 0 0 0 24 50 1 0 0 0 0 24102 1 0 0 0 0 25 47 1 0 0 0 0 25103 1 0 0 0 0 25104 1 0 0 0 0 26 48 1 0 0 0 0 26105 1 0 0 0 0 26106 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 27 61 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 28 62 1 0 0 0 0 29 33 1 0 0 0 0 29 63 1 0 0 0 0 30 34 1 0 0 0 0 30 64 1 0 0 0 0 31 35 1 0 0 0 0 31 65 1 0 0 0 0 32 36 1 0 0 0 0 32 66 1 0 0 0 0 33 41 1 0 0 0 0 33 67 1 0 0 0 0 34 42 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 40 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 43 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 44 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 49 51 2 0 0 0 0 49 53 1 0 0 0 0 50 52 2 0 0 0 0 50 54 1 0 0 0 0 51 55 1 0 0 0 0 51107 1 0 0 0 0 52 56 1 0 0 0 0 52108 1 0 0 0 0 53 57 2 0 0 0 0 53109 1 0 0 0 0 54 58 2 0 0 0 0 54110 1 0 0 0 0 55 59 2 0 0 0 0 55111 1 0 0 0 0 56 60 2 0 0 0 0 56112 1 0 0 0 0 57 59 1 0 0 0 0 57113 1 0 0 0 0 58 60 1 0 0 0 0 58114 1 0 0 0 0 M END > 9552081 > 1 > 819 > 16 > 18 > 23 > AAADcfB//AAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgIQCAAACB7hkCYxyILAAgCoACTSbAKCAAEhBwAJiAFAZoiJMDbBm5GEYAhlsAJJyCfabARAAABAAAAAAAAAAIAAAAAAAAAAAAAAAA== > (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > 2-[amino-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexylimino]methyl]-1-(4-chlorophenyl)guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (1E)-2-[6-[[azanyl-[(E)-[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[azanyl-[(4-chlorophenyl)amino]methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid > (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1 > YZIYKJHYYHPJIB-UUPCJSQJSA-N > 896.3198018 > C34H54Cl2N10O14 > 897.8 > Bypass - this structure was created from CID 9552081 > C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C(C(C(C(C(C(=O)O)O)O)O)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O > C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O > 455 > 896.3198018 > 0 > 60 > 8 > 0 > 2 > 0 > 0 > 3 > -1 > 1 5 255 > 34 10 6 27 3 6 28 4 6 49 51 8 49 53 8 29 5 6 50 52 8 50 54 8 51 55 8 52 56 8 53 57 8 54 58 8 55 59 8 56 60 8 57 59 8 58 60 8 30 6 6 31 7 5 32 8 5 33 9 6 $$$$