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0 0 0 0 0 0 0 2.3788 4.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0988 -4.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 5.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 3.2405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8247 -3.5035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6587 -3.2335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2945 0.0035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2523 -2.1788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5323 3.3136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3788 4.3682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5744 1.1312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2222 -1.7937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5752 3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4407 3.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 -3.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 -0.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7003 -2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 2.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8267 3.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2325 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 -2.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9709 -6.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7779 -6.7405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -7.6966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 6.4334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9847 -1.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 -6.2989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3142 -4.4698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 5.6046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5043 6.5729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8607 3.7926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0177 -3.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1067 -2.6204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 0.1751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9974 -1.3942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0198 3.9266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 4.1967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8294 1.9158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 -2.5474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 0.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0744 -0.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3289 3.7156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 -2.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3564 -0.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 -3.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 2.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 2.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7846 1.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2222 -0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5276 -2.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3374 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9249 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3374 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0341 4.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6317 -3.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 -3.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 -0.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5072 -2.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 2.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 4.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3195 0.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6715 -1.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 7 5 2 0 0 0 0 8 6 2 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 22 21 1 0 0 0 0 23 9 1 0 0 0 0 24 10 1 0 0 0 0 35 2 1 0 0 0 0 35 3 1 0 0 0 0 35 25 1 0 0 0 0 36 17 2 0 0 0 0 36 18 1 0 0 0 0 36 26 1 0 0 0 0 37 27 1 0 0 0 0 37 30 2 0 0 0 0 38 28 1 0 0 0 0 38 31 2 0 0 0 0 39 29 1 0 0 0 0 39 32 2 0 0 0 0 40 19 2 0 0 0 0 40 20 1 0 0 0 0 41 11 2 0 0 0 0 41 37 1 0 0 0 0 42 12 2 0 0 0 0 42 38 1 0 0 0 0 43 13 2 0 0 0 0 43 41 1 0 0 0 0 44 14 2 0 0 0 0 44 42 1 0 0 0 0 45 21 1 0 0 0 0 46 15 1 0 0 0 0 47 25 1 0 0 0 0 48 26 1 0 0 0 0 49 27 1 0 0 0 0 50 28 1 0 0 0 0 51 29 1 0 0 0 0 52 33 1 0 0 0 0 53 16 1 0 0 0 0 54 22 1 0 0 0 0 45 55 1 6 0 0 0 56 47 1 0 0 0 0 57 48 1 0 0 0 0 58 49 1 0 0 0 0 59 50 1 0 0 0 0 60 51 1 0 0 0 0 61 52 1 0 0 0 0 53 62 1 6 0 0 0 63 46 1 0 0 0 0 65 64 2 0 0 0 0 66 64 1 0 0 0 0 67 32 1 0 0 0 0 67 34 2 0 0 0 0 68 4 1 4 0 0 0 68 62 2 0 0 0 0 69 23 1 0 0 0 0 69 64 1 0 0 0 0 70 30 1 0 0 0 0 70 43 1 0 0 0 0 71 31 1 0 0 0 0 71 44 1 0 0 0 0 72 34 1 0 0 0 0 72 39 1 0 0 0 0 73 45 1 0 0 0 0 73 54 2 0 0 0 0 46 74 1 1 0 0 0 74 56 2 0 0 0 0 47 75 1 1 0 0 0 75 58 2 0 0 0 0 48 76 1 1 0 0 0 76 61 2 0 0 0 0 49 77 1 6 0 0 0 77 57 2 0 0 0 0 50 78 1 6 0 0 0 78 60 2 0 0 0 0 51 79 1 6 0 0 0 79 55 2 0 0 0 0 52 80 1 6 0 0 0 80 59 2 0 0 0 0 81 24 1 0 0 0 0 81 53 1 0 0 0 0 81 63 1 0 0 0 0 82 33 1 0 0 0 0 83 40 1 0 0 0 0 84 54 1 0 0 0 0 55 85 1 4 0 0 0 56 86 1 4 0 0 0 57 87 1 4 0 0 0 58 88 1 4 0 0 0 59 89 1 4 0 0 0 60 90 1 4 0 0 0 61 91 1 4 0 0 0 92 62 1 0 0 0 0 93 63 2 0 0 0 0 95 94 1 0 0 0 0 96 95 2 0 0 0 0 97 95 1 0 0 0 0 45 98 1 1 0 0 0 46 99 1 1 0 0 0 47100 1 1 0 0 0 48101 1 1 0 0 0 49102 1 6 0 0 0 50103 1 6 0 0 0 51104 1 6 0 0 0 52105 1 6 0 0 0 53106 1 1 0 0 0 M END > CHEM019172 > chemdb > CC(O)=O.[H][C@@](CO)(N=C(O)[C@]([H])(CC1=CNC2=CC=CC=C12)N=C(O)[C@]([H])(CC1=CN=CN1)N=C(O)[C@]1([H])CCC(O)=N1)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=N[C@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCCNC(N)=N)C(=O)N1CCC[C@@]1([H])C(O)=NCC > InChI=1S/C64H83N17O12.C2H4O2/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45;1-2(3)4/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69);1H3,(H,3,4)/t45-,46-,47-,48-,49+,50-,51-,52-,53-;/m0./s1 > LYCYLGFSIXIXAB-NUZRHMIVSA-N > C66H87N17O14 > 1342.527 > 1341.661840549 > 25 > 184 > 136.42675134797588 > 0 > 17 > 0 > 0 > (2S)-1-[(2S)-5-carbamimidamido-2-{[(2S)-2-{[(2R)-2-{[(2S)-2-{[(2S)-1,3-dihydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-({hydroxy[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl]methylidene}amino)-3-(1H-imidazol-5-yl)propylidene]amino}-3-(1H-indol-3-yl)propylidene]amino}propylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-1-hydroxy-4-methylpentylidene]amino}pentanoyl]-N-ethylpyrrolidine-2-carboximidic acid; acetic acid > 2.20 > 3.6474786517000513 > -4.73 > 1 > 8 > 0 > 3.2304927050978858 > 2.7972994089075987 > 11.895239509508471 > 476.2400000000003 > 354.53459999999984 > 32 > 0 > 2.38e-02 g/l > (2S)-1-[(2S)-5-carbamimidamido-2-{[(2S)-2-{[(2R)-2-{[(2S)-2-{[(2S)-1,3-dihydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-({hydroxy[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl]methylidene}amino)-3-(3H-imidazol-4-yl)propylidene]amino}-3-(1H-indol-3-yl)propylidene]amino}propylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-1-hydroxy-4-methylpentylidene]amino}pentanoyl]-N-ethylpyrrolidine-2-carboximidic acid; acetic acid > 0 > Deslorelin acetate > 82318-06-7 $$$$