45280957 -OEChem-05112407192D 106112 0 1 0 0 0 0 0999 V2000 7.3543 0.2408 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.3838 -1.2994 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6751 -5.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1881 5.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -1.7062 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8931 -1.4805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 -0.3978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4133 0.1951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0225 0.3642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3952 -1.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8066 -1.8872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6156 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1384 -1.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2839 -1.3114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7371 -2.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 -1.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7316 -2.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6852 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9112 -2.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3058 -1.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6212 1.1732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7818 -0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6157 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2793 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1021 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9521 1.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 -2.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2611 2.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1886 -3.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2067 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6659 -3.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 -2.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3796 -3.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3976 -5.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2392 3.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 3.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3569 -4.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7096 -3.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4841 -4.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 -4.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5482 4.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9010 4.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8791 4.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8752 -0.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 -2.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9623 -0.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1697 -0.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6753 -2.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5028 -1.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8937 -0.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1205 -2.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7371 -3.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5663 -2.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3915 -2.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6027 -3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3213 -2.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3497 0.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8812 -0.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5205 0.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7732 0.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 1.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1829 -3.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5071 -2.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 -1.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 -0.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 1.5071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 1.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2841 -0.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 -1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0223 1.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -1.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 2.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 1.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 0.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 1.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 0.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2054 1.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4868 1.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4046 2.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5704 1.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6289 0.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 -2.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 -4.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2723 -3.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 -2.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8132 -3.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4624 -5.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6541 2.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9855 3.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7717 -4.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1031 -3.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1871 -4.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1547 4.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4861 5.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7399 -5.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7946 5.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 32 2 0 0 0 0 3 47 1 0 0 0 0 3105 1 0 0 0 0 4 51 1 0 0 0 0 4106 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 26 1 0 0 0 0 8 32 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 91 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 6 0 0 0 11 22 1 0 0 0 0 11 53 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 17 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 6 0 0 0 14 58 1 0 0 0 0 15 17 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 67 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 22 33 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 23 27 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 28 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 25 35 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 31 1 0 0 0 0 26 34 1 1 0 0 0 26 78 1 0 0 0 0 27 29 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 30 1 0 0 0 0 28 81 1 0 0 0 0 28 82 1 0 0 0 0 29 30 1 0 0 0 0 29 83 1 0 0 0 0 29 84 1 0 0 0 0 30 85 1 0 0 0 0 30 86 1 0 0 0 0 31 87 1 0 0 0 0 31 88 1 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 36 1 0 0 0 0 34 89 1 0 0 0 0 34 90 1 0 0 0 0 35 39 2 0 0 0 0 35 40 1 0 0 0 0 36 43 2 0 0 0 0 36 44 1 0 0 0 0 37 41 1 0 0 0 0 37 92 1 0 0 0 0 38 42 2 0 0 0 0 38 93 1 0 0 0 0 39 45 1 0 0 0 0 39 94 1 0 0 0 0 40 46 2 0 0 0 0 40 95 1 0 0 0 0 41 47 2 0 0 0 0 41 96 1 0 0 0 0 42 47 1 0 0 0 0 42 97 1 0 0 0 0 43 49 1 0 0 0 0 43 98 1 0 0 0 0 44 50 2 0 0 0 0 44 99 1 0 0 0 0 45 48 2 0 0 0 0 45100 1 0 0 0 0 46 48 1 0 0 0 0 46101 1 0 0 0 0 48102 1 0 0 0 0 49 51 2 0 0 0 0 49103 1 0 0 0 0 50 51 1 0 0 0 0 50104 1 0 0 0 0 M END > 45280957 > 1 > 1100 > 5 > 3 > 13 > AAADcfB/sABgAAAAAAAAAAAAAAAAAWLFgAAwYMAABgAAAAABUAAAHgQQCAAADSzBmAQxBoPAAgCEAiBCAAACAAAgIAkIiIAOCIiIZiKCkROUcAAs0BOImAeQwOAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (4S)-4-benzyl-3-(cycloheptylmethyl)-1-[(1S)-1-[(4-hydroxyphenyl)methyl]-2-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-thioxo-imidazolidin-1-yl]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2-thione > (4S)-3-(cycloheptylmethyl)-1-[(2S)-1-(4-hydroxyphenyl)-3-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1-imidazolidinyl]methyl]-1-pyrrolidinyl]propan-2-yl]-4-(phenylmethyl)-2-imidazolidinethione > (4S)-4-benzyl-3-(cycloheptylmethyl)-1-[(2S)-1-(4-hydroxyphenyl)-3-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]imidazolidine-2-thione > (4S)-4-benzyl-3-(cycloheptylmethyl)-1-[(2S)-1-(4-hydroxyphenyl)-3-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]imidazolidine-2-thione > (4S)-3-(cycloheptylmethyl)-1-[(2S)-1-(4-hydroxyphenyl)-3-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-imidazolidin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]-4-(phenylmethyl)imidazolidine-2-thione > (4S)-4-benzyl-3-(cycloheptylmethyl)-1-[(1S)-1-(4-hydroxybenzyl)-2-[2-[[(5S)-5-(4-hydroxybenzyl)-2-thioxo-imidazolidin-1-yl]methyl]pyrrolidino]ethyl]imidazolidine-2-thione > InChI=1S/C42H55N5O2S2/c48-39-18-14-32(15-19-39)23-36-26-43-41(50)45(36)29-35-13-8-22-44(35)28-37(25-33-16-20-40(49)21-17-33)47-30-38(24-31-9-6-3-7-10-31)46(42(47)51)27-34-11-4-1-2-5-12-34/h3,6-7,9-10,14-21,34-38,48-49H,1-2,4-5,8,11-13,22-30H2,(H,43,50)/t35?,36-,37-,38-/m0/s1 > ULDPFQYFHJFBOQ-MYHQZBQWSA-N > 8.7 > 725.37971836 > C42H55N5O2S2 > 726.1 > C1CCCC(CC1)CN2C(CN(C2=S)C(CC3=CC=C(C=C3)O)CN4CCCC4CN5C(CNC5=S)CC6=CC=C(C=C6)O)CC7=CC=CC=C7 > C1CCCC(CC1)CN2[C@H](CN(C2=S)[C@@H](CC3=CC=C(C=C3)O)CN4CCCC4CN5[C@H](CNC5=S)CC6=CC=C(C=C6)O)CC7=CC=CC=C7 > 130 > 725.37971836 > 0 > 51 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 3 11 12 6 14 25 6 26 34 5 33 37 8 33 38 8 35 39 8 35 40 8 36 43 8 36 44 8 37 41 8 38 42 8 39 45 8 40 46 8 41 47 8 42 47 8 43 49 8 44 50 8 45 48 8 46 48 8 49 51 8 50 51 8 $$$$