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0 0 0 0 0 0 0 0 0 0 0 0 -8.2699 -4.0709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4495 -4.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3901 -5.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5617 -5.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9485 -6.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1639 -6.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 10 15 1 0 0 0 0 8 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 23 2 0 0 0 0 20 24 1 0 0 0 0 18 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 42 41 1 0 0 0 0 43 42 2 0 0 0 0 38 43 1 0 0 0 0 41 44 1 0 0 0 0 36 45 1 6 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 46 50 2 0 0 0 0 35 51 2 0 0 0 0 33 52 1 6 0 0 0 52 53 1 0 0 0 0 32 54 2 0 0 0 0 30 55 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 29 59 2 0 0 0 0 27 60 1 6 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 2 0 0 0 0 26 65 2 0 0 0 0 17 66 2 0 0 0 0 7 67 2 0 0 0 0 5 68 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 72 74 1 0 0 0 0 4 75 2 0 0 0 0 2 76 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 81 80 1 6 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 6 0 0 0 86 87 1 0 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 94 93 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 100 99 1 6 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 101108 2 0 0 0 0 100109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 98114 2 0 0 0 0 97115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 95120 2 0 0 0 0 94121 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 92126 2 0 0 0 0 89127 2 0 0 0 0 88128 1 0 0 0 0 128129 1 0 0 0 0 128130 1 0 0 0 0 86131 2 0 0 0 0 85132 1 0 0 0 0 132133 1 0 0 0 0 134133 1 0 0 0 0 84134 1 0 0 0 0 81135 1 0 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 79140 2 0 0 0 0 76141 2 0 0 0 0 1142 1 0 0 0 0 142143 1 0 0 0 0 143144 2 0 0 0 0 144145 1 0 0 0 0 146145 1 0 0 0 0 142146 2 0 0 0 0 144147 1 0 0 0 0 147148 2 0 0 0 0 149148 1 0 0 0 0 150149 2 0 0 0 0 143150 1 0 0 0 0 M END > DB13298 > drugbank > CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN > InChI=1S/C99H155N29O21S/c1-59(2)84(97(148)113-56-81(132)115-68(26-10-14-40-101)87(138)119-69(27-11-15-41-102)88(139)118-67(25-9-13-39-100)85(136)109-45-18-17-43-104)127-96(147)79-30-20-47-128(79)98(149)73(28-12-16-42-103)116-82(133)55-112-86(137)76(51-62-53-111-66-24-8-7-23-65(62)66)124-89(140)70(29-19-46-110-99(106)107)120-93(144)75(49-60-21-5-4-6-22-60)123-94(145)77(52-63-54-108-58-114-63)125-90(141)71(35-36-83(134)135)121-91(142)72(38-48-150-3)122-95(146)78(57-129)126-92(143)74(117-80(131)37-44-105)50-61-31-33-64(130)34-32-61/h4-8,21-24,31-34,53-54,58-59,67-79,84,111,129-130H,9-20,25-30,35-52,55-57,100-105H2,1-3H3,(H,108,114)(H,109,136)(H,112,137)(H,113,148)(H,115,132)(H,116,133)(H,117,131)(H,118,139)(H,119,138)(H,120,144)(H,121,142)(H,122,146)(H,123,145)(H,124,140)(H,125,141)(H,126,143)(H,127,147)(H,134,135)(H4,106,107,110)/t67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-/m0/s1 > DIDCGVRALANKIU-OTEFFYEFSA-N > C99H155N29O21S > 2119.57 > 2118.167304301 > 31 > 305 > 8.018542685697472 > 224.91422158022968 > 0 > 30 > 0 > 0 > (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-[({[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-[(4-aminobutyl)carbamoyl]pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-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-4-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-(3-aminopropanamido)-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]butanoic acid > -0.85 > -10.142881801071388 > -4.86 > 1 > 6 > 6 > 6 > 3.4811897193831474 > 11.939853563034454 > 826.1600000000001 > 565.3546000000001 > 73 > 0 > 2.96e-02 g/l > (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-[({[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-[(4-aminobutyl)carbamoyl]pentyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-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-4-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-(3-aminopropanamido)-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]butanoic acid > 0 > DB13298 > experimental > Alsactide > Alsactida; Alsactide; Alsactidum > Synchrodyn $$$$