44142695 -OEChem-03192404122D 82 85 0 0 0 0 0 0 0999 V2000 6.5661 -1.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9760 1.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0779 2.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6760 7.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9440 7.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 -0.2056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4408 0.2056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.3853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4440 -0.3853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.5657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7530 0.5657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8100 2.6535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7465 -0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4897 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1839 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9440 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9440 2.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4440 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8100 3.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9440 4.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6760 4.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8100 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9440 5.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6760 5.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8100 6.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6760 8.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5420 8.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0866 0.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 0.5362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4555 -0.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2351 -0.5362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7613 -1.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5409 -0.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7808 1.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 0.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9724 0.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5697 -0.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 0.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0795 -0.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 0.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8084 -0.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3469 2.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4070 3.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2130 3.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4070 5.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2130 5.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -8.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -8.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4640 8.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0654 8.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -8.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -8.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -9.1904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8520 8.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0790 8.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2320 9.1904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 22 2 0 0 0 0 3 27 2 0 0 0 0 4 28 2 0 0 0 0 5 43 1 0 0 0 0 5 45 1 0 0 0 0 6 44 1 0 0 0 0 6 46 1 0 0 0 0 7 43 2 0 0 0 0 8 44 2 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 9 57 1 0 0 0 0 10 20 1 0 0 0 0 10 22 1 0 0 0 0 10 58 1 0 0 0 0 11 23 1 0 0 0 0 11 29 1 0 0 0 0 11 59 1 0 0 0 0 12 24 1 0 0 0 0 12 30 1 0 0 0 0 12 60 1 0 0 0 0 13 25 1 0 0 0 0 13 29 2 0 0 0 0 14 26 1 0 0 0 0 14 30 2 0 0 0 0 15 27 1 0 0 0 0 15 31 1 0 0 0 0 15 63 1 0 0 0 0 16 28 1 0 0 0 0 16 32 1 0 0 0 0 16 64 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 31 33 2 0 0 0 0 31 35 1 0 0 0 0 32 34 2 0 0 0 0 32 36 1 0 0 0 0 33 39 1 0 0 0 0 33 65 1 0 0 0 0 34 40 1 0 0 0 0 34 66 1 0 0 0 0 35 41 2 0 0 0 0 35 67 1 0 0 0 0 36 42 2 0 0 0 0 36 68 1 0 0 0 0 37 39 2 0 0 0 0 37 41 1 0 0 0 0 37 43 1 0 0 0 0 38 40 2 0 0 0 0 38 42 1 0 0 0 0 38 44 1 0 0 0 0 39 69 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 42 72 1 0 0 0 0 45 47 1 0 0 0 0 45 73 1 0 0 0 0 45 74 1 0 0 0 0 46 48 1 0 0 0 0 46 75 1 0 0 0 0 46 76 1 0 0 0 0 47 77 1 0 0 0 0 47 78 1 0 0 0 0 47 79 1 0 0 0 0 48 80 1 0 0 0 0 48 81 1 0 0 0 0 48 82 1 0 0 0 0 M END > 44142695 > 1 > 1040 > 10 > 6 > 17 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAAAB9AAAHgAQAAAADAjhngY32JbJlACoAyXzfACCgC23EqAJ2YGofMiIbjrA/bmWMYhs1gPI6eed2SOeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA== > ethyl 4-[[5-[4-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]butylcarbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate > 4-[[[5-[[4-[[[4-[(4-ethoxycarbonylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]butylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester > ethyl 4-[[5-[4-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]butylcarbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate > ethyl 4-[[5-[4-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]butylcarbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate > ethyl 4-[[5-[4-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]butylcarbamoyl]-1H-imidazol-4-yl]carbonylamino]benzoate > 4-[[5-[4-[[4-[(4-carbethoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]butylcarbamoyl]-1H-imidazole-4-carbonyl]amino]benzoic acid ethyl ester > InChI=1S/C32H34N8O8/c1-3-47-31(45)19-7-11-21(12-8-19)39-29(43)25-23(35-17-37-25)27(41)33-15-5-6-16-34-28(42)24-26(38-18-36-24)30(44)40-22-13-9-20(10-14-22)32(46)48-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,39,43)(H,40,44) > PKUCAMOFKFWSIG-UHFFFAOYSA-N > 2.6 > 658.24996007 > C32H34N8O8 > 658.7 > CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)NCCCCNC(=O)C3=C(N=CN3)C(=O)NC4=CC=C(C=C4)C(=O)OCC > CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)NCCCCNC(=O)C3=C(N=CN3)C(=O)NC4=CC=C(C=C4)C(=O)OCC > 226 > 658.24996007 > 0 > 48 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 23 8 11 29 8 12 24 8 12 30 8 13 25 8 13 29 8 14 26 8 14 30 8 23 25 8 24 26 8 31 33 8 31 35 8 32 34 8 32 36 8 33 39 8 34 40 8 35 41 8 36 42 8 37 39 8 37 41 8 38 40 8 38 42 8 $$$$