45280953 -OEChem-05092422542D 102107 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 4.6456 -2.8556 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 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 3.7320 -2.4489 0.0000 C 0 0 2 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 3.8366 -1.4543 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 5.8046 -4.1428 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 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 5.3147 -2.1124 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 6.5477 -3.4736 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 3.6392 0.3716 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 7.4988 -3.7826 0.0000 C 0 0 0 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 7.7067 -4.7608 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 3.7433 2.7772 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 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 6.6227 4.4534 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 2.0000 -4.4488 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 2.0000 -5.4488 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 2.8660 -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 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 3.7645 -3.0680 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 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 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 5.6757 -3.5363 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 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 5.3928 -5.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9262 -5.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8388 -2.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -3.0919 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 3.0226 0.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6725 -5.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4521 -5.8116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1184 -3.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5850 -3.1687 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 8.0352 -5.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2815 -4.5285 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 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 3.5530 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 3.1019 4.0817 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 1.4631 -4.1388 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 1.4631 -5.7588 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 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 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 22 2 0 0 0 0 2 32 2 0 0 0 0 3 44 1 0 0 0 0 3101 1 0 0 0 0 4 47 1 0 0 0 0 4102 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 8 20 1 0 0 0 0 8 29 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 92 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 1 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 1 0 0 0 13 52 1 0 0 0 0 14 17 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 26 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 23 27 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 28 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 33 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 35 1 0 0 0 0 26 36 1 0 0 0 0 26 74 1 0 0 0 0 27 30 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 28 30 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 29 31 1 0 0 0 0 29 34 1 6 0 0 0 29 79 1 0 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 31 82 1 0 0 0 0 31 83 1 0 0 0 0 33 38 2 0 0 0 0 33 39 1 0 0 0 0 34 37 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 37 42 2 0 0 0 0 37 43 1 0 0 0 0 38 40 1 0 0 0 0 38 93 1 0 0 0 0 39 41 2 0 0 0 0 39 94 1 0 0 0 0 40 44 2 0 0 0 0 40 95 1 0 0 0 0 41 44 1 0 0 0 0 41 96 1 0 0 0 0 42 45 1 0 0 0 0 42 97 1 0 0 0 0 43 46 2 0 0 0 0 43 98 1 0 0 0 0 45 47 2 0 0 0 0 45 99 1 0 0 0 0 46 47 1 0 0 0 0 46100 1 0 0 0 0 M END > 45280953 > 1 > 1010 > 5 > 3 > 13 > AAADcfB/sABgAAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAAAAABQAAAHgQQCAAADSzBmAQzBoPAAgCEAiBCAAACAAAgIAkIiIAOCIiIZiKCkROUcAAs0BOImAeQwKAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (4S)-3-(cyclohexylmethyl)-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]imidazolidine-2-thione > (4S)-3-(cyclohexylmethyl)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1-imidazolidinyl]methyl]-1-pyrrolidinyl]-4-methylpentan-2-yl]-2-imidazolidinethione > (4S)-3-(cyclohexylmethyl)-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]imidazolidine-2-thione > (4S)-3-(cyclohexylmethyl)-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]imidazolidine-2-thione > (4S)-3-(cyclohexylmethyl)-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]imidazolidine-2-thione > (4S)-3-(cyclohexylmethyl)-4-(4-hydroxybenzyl)-1-[(1S)-1-[[2-[[(5S)-5-(4-hydroxybenzyl)-2-thioxo-imidazolidin-1-yl]methyl]pyrrolidino]methyl]-3-methyl-butyl]imidazolidine-2-thione > InChI=1S/C38H55N5O2S2/c1-27(2)19-33(24-40-18-6-9-31(40)25-41-32(22-39-37(41)46)20-28-10-14-35(44)15-11-28)43-26-34(21-29-12-16-36(45)17-13-29)42(38(43)47)23-30-7-4-3-5-8-30/h10-17,27,30-34,44-45H,3-9,18-26H2,1-2H3,(H,39,46)/t31?,32-,33-,34-/m0/s1 > GMAGJOWBPJKTNU-GSSGUZCNSA-N > 7.9 > 677.37971836 > C38H55N5O2S2 > 678.0 > CC(C)CC(CN1CCCC1CN2C(CNC2=S)CC3=CC=C(C=C3)O)N4CC(N(C4=S)CC5CCCCC5)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)CC5CCCCC5)CC6=CC=C(C=C6)O > 130 > 677.37971836 > 0 > 47 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 20 3 11 21 5 13 25 5 29 34 6 33 38 8 33 39 8 37 42 8 37 43 8 38 40 8 39 41 8 40 44 8 41 44 8 42 45 8 43 46 8 45 47 8 46 47 8 $$$$