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1 0 0 0 0 38 71 1 0 0 0 0 18 13 1 0 0 0 0 71 72 1 0 0 0 0 35 36 1 0 0 0 0 72 73 1 0 0 0 0 19 20 1 0 0 0 0 71 74 2 0 0 0 0 36 37 1 0 0 0 0 72 75 1 6 0 0 0 75 13 1 0 0 0 0 2 3 1 0 0 0 0 73 76 1 0 0 0 0 37 38 1 0 0 0 0 76 77 1 0 0 0 0 5 6 2 0 0 0 0 77 78 1 0 0 0 0 78 9 1 0 0 0 0 34 39 1 1 0 0 0 77 79 1 6 0 0 0 8 9 1 0 0 0 0 76 80 2 0 0 0 0 39 40 2 0 0 0 0 79 81 1 0 0 0 0 10 11 1 0 0 0 0 81 82 2 0 0 0 0 39 41 1 0 0 0 0 83 81 1 1 0 0 0 11 12 2 0 0 0 0 83 84 1 0 0 0 0 41 42 1 0 0 0 0 84 85 1 0 0 0 0 20 21 1 0 0 0 0 85 86 1 0 0 0 0 42 43 1 0 0 0 0 86 87 1 0 0 0 0 21 22 1 0 0 0 0 86 88 2 0 0 0 0 43 44 1 0 0 0 0 83 89 1 0 0 0 0 22 23 1 0 0 0 0 89 90 1 0 0 0 0 43 45 2 0 0 0 0 90 91 1 0 0 0 0 23 19 1 0 0 0 0 91 92 1 0 0 0 0 44 46 1 0 0 0 0 90 93 2 0 0 0 0 12 8 1 0 0 0 0 91 94 1 1 0 0 0 46 47 1 0 0 0 0 94 95 1 0 0 0 0 47 19 1 0 0 0 0 95 96 1 0 0 0 0 6 1 1 0 0 0 0 96 97 1 0 0 0 0 46 48 1 1 0 0 0 92 98 1 0 0 0 0 24 25 2 0 0 0 0 98 99 1 0 0 0 0 99 7 1 0 0 0 0 48 49 1 0 0 0 0 7100 1 0 0 0 0 1 2 2 0 0 0 0 100101 1 0 0 0 0 49 50 1 0 0 0 0 101102 1 0 0 0 0 102 1 1 0 0 0 0 25 26 1 0 0 0 0 4103 1 0 0 0 0 50 51 1 0 0 0 0 101104 1 6 0 0 0 51 52 1 0 0 0 0 100105 2 0 0 0 0 26 29 2 0 0 0 0 99106 1 6 0 0 0 13 14 2 0 0 0 0 106107 1 0 0 0 0 20 53 1 1 0 0 0 98108 2 0 0 0 0 28 27 2 0 0 0 0 104109 1 0 0 0 0 53 54 2 0 0 0 0 110109 1 1 0 0 0 27 24 1 0 0 0 0 110111 1 0 0 0 0 53 55 1 0 0 0 0 109112 2 0 0 0 0 28 29 1 0 0 0 0 110113 1 0 0 0 0 55 56 1 0 0 0 0 113114 1 0 0 0 0 9 10 2 0 0 0 0 36115 2 0 0 0 0 M END > DB15687 > drugbank > CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O > InChI=1S/C75H106N20O19S/c1-41(2)62(74(113)114)94-72(111)59-19-12-29-95(59)73(112)53(17-9-10-27-76)85-60(99)37-83-64(103)56(33-44-35-82-49-16-8-7-15-47(44)49)91-65(104)50(18-11-28-81-75(78)79)86-68(107)55(31-42-13-5-4-6-14-42)90-70(109)57(34-45-36-80-40-84-45)92-66(105)51(24-25-61(100)101)87-67(106)52(26-30-115-3)88-71(110)58(39-97)93-69(108)54(89-63(102)48(77)38-96)32-43-20-22-46(98)23-21-43/h4-8,13-16,20-23,35-36,40-41,48,50-59,62,82,96-98H,9-12,17-19,24-34,37-39,76-77H2,1-3H3,(H,80,84)(H,83,103)(H,85,99)(H,86,107)(H,87,106)(H,88,110)(H,89,102)(H,90,109)(H,91,104)(H,92,105)(H,93,108)(H,94,111)(H,100,101)(H,113,114)(H4,78,79,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1 > VGBVAARMQYYITG-DESRROFGSA-N > C75H106N20O19S > 1623.85 > 1622.766382447 > 25 > 221 > 4.1082470639829385 > 166.1150342639114 > 0 > 23 > 0 > 0 > (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]butanoic acid > -2.42 > -9.336147012939952 > -4.79 > 1 > 1 > 6 > 1 > 3.7747907700776344 > 3.1730130054030465 > 11.911905206308006 > 634.1100000000001 > 426.4475000000002 > 49 > 0 > 2.66e-02 g/l > (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(3H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]butanoic acid > 0 > DB15687 > investigational > Tridecactide > alpha-1-13-corticotropin, human; Tridecactide $$$$