45280952 -OEChem-05072413252D 99104 0 1 0 0 0 0 0999 V2000 6.3092 -2.2170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0002 2.1081 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8429 7.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 0.6852 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8147 -1.2464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 2.5693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -2.8556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 3.7717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1227 1.5512 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2215 -0.3329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2160 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7918 2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6009 0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7054 1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1282 1.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 -1.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2215 3.4353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 -2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 4.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -3.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7433 2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 3.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0514 1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2324 -0.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 -4.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 4.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -5.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 4.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 5.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9635 -5.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 -5.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 5.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 6.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4362 6.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1714 -6.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4772 -6.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4283 -7.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 1.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 -0.3977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 -0.8468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 -0.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1018 2.8313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2903 2.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6657 0.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2209 0.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 1.7587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 2.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5266 1.5058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1714 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1909 0.7479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4628 1.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 -0.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2166 -1.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7645 -3.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5591 2.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0226 0.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 4.5429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2423 4.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2339 -3.8554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 -4.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 2.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 3.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1019 4.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 1.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6869 1.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 0.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -0.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9802 -1.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 -0.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 -4.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8908 -3.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9817 4.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 5.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4243 -5.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6797 -5.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6406 5.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 6.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 -6.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0165 -7.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 -7.6836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -7.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4595 7.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 26 2 0 0 0 0 3 42 1 0 0 0 0 3 98 1 0 0 0 0 4 45 1 0 0 0 0 4 99 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 26 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 8 25 1 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 9 76 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 1 0 0 0 11 50 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 15 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 22 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 19 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 23 1 1 0 0 0 19 65 1 0 0 0 0 20 24 1 0 0 0 0 20 27 1 6 0 0 0 20 66 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 22 67 1 0 0 0 0 23 30 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 31 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 27 32 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 29 80 1 0 0 0 0 29 81 1 0 0 0 0 29 82 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 33 1 0 0 0 0 31 83 1 0 0 0 0 31 84 1 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 33 40 2 0 0 0 0 33 41 1 0 0 0 0 34 38 1 0 0 0 0 34 85 1 0 0 0 0 35 39 2 0 0 0 0 35 86 1 0 0 0 0 36 43 1 0 0 0 0 36 87 1 0 0 0 0 37 44 2 0 0 0 0 37 88 1 0 0 0 0 38 42 2 0 0 0 0 38 89 1 0 0 0 0 39 42 1 0 0 0 0 39 90 1 0 0 0 0 40 46 1 0 0 0 0 40 91 1 0 0 0 0 41 47 2 0 0 0 0 41 92 1 0 0 0 0 43 45 2 0 0 0 0 43 93 1 0 0 0 0 44 45 1 0 0 0 0 44 94 1 0 0 0 0 46 48 2 0 0 0 0 46 95 1 0 0 0 0 47 48 1 0 0 0 0 47 96 1 0 0 0 0 48 97 1 0 0 0 0 M END > 45280952 > 1 > 1030 > 5 > 3 > 14 > AAADcfB/sABgAAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAAAAABUAAAHgQQCAAADSzBmAQzBoPAAgCEAiBCAAACAAAgIAkIiIAOCIiIZiKCkROUcAAs0BOImAeQwKAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (4S)-4-[(4-hydroxyphenyl)methyl]-1-[(1S)-1-[[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-thioxo-imidazolidin-1-yl]methyl]pyrrolidin-1-yl]methyl]-3-methyl-butyl]-3-(2-phenylethyl)imidazolidine-2-thione > (4S)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1-imidazolidinyl]methyl]-1-pyrrolidinyl]-4-methylpentan-2-yl]-3-(2-phenylethyl)-2-imidazolidinethione > (4S)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-1-yl]methyl]pyrrolidin-1-yl]-4-methylpentan-2-yl]-3-(2-phenylethyl)imidazolidine-2-thione > (4S)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-1-yl]methyl]pyrrolidin-1-yl]-4-methylpentan-2-yl]-3-(2-phenylethyl)imidazolidine-2-thione > (4S)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-imidazolidin-1-yl]methyl]pyrrolidin-1-yl]-4-methyl-pentan-2-yl]-3-(2-phenylethyl)imidazolidine-2-thione > (4S)-4-(4-hydroxybenzyl)-1-[(1S)-1-[[2-[[(5S)-5-(4-hydroxybenzyl)-2-thioxo-imidazolidin-1-yl]methyl]pyrrolidino]methyl]-3-methyl-butyl]-3-phenethyl-imidazolidine-2-thione > InChI=1S/C39H51N5O2S2/c1-28(2)21-34(25-41-19-6-9-32(41)26-43-33(24-40-38(43)47)22-30-10-14-36(45)15-11-30)44-27-35(23-31-12-16-37(46)17-13-31)42(39(44)48)20-18-29-7-4-3-5-8-29/h3-5,7-8,10-17,28,32-35,45-46H,6,9,18-27H2,1-2H3,(H,40,47)/t32?,33-,34-,35-/m0/s1 > KDYSWVIVVGBOTF-RHINSWJKSA-N > 7.4 > 685.34841823 > C39H51N5O2S2 > 686.0 > CC(C)CC(CN1CCCC1CN2C(CNC2=S)CC3=CC=C(C=C3)O)N4CC(N(C4=S)CCC5=CC=CC=C5)CC6=CC=C(C=C6)O > CC(C)C[C@@H](CN1CCCC1CN2[C@H](CNC2=S)CC3=CC=C(C=C3)O)N4C[C@@H](N(C4=S)CCC5=CC=CC=C5)CC6=CC=C(C=C6)O > 130 > 685.34841823 > 0 > 48 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 3 11 17 5 19 23 5 20 27 6 30 34 8 30 35 8 32 36 8 32 37 8 33 40 8 33 41 8 34 38 8 35 39 8 36 43 8 37 44 8 38 42 8 39 42 8 40 46 8 41 47 8 43 45 8 44 45 8 46 48 8 47 48 8 $$$$