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0 0 0 0 0 0 0 0 0 0 0 0 10.2959 -0.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7809 -1.5622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5569 -1.2822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1874 -1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9635 -1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5940 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3700 -1.7863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0005 -2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7765 -2.0383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8550 -3.1304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7024 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4784 -0.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 0.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 2 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 20 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 26 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 29 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 32 37 1 0 0 0 0 27 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 41 40 1 6 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 41 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 49 58 1 0 0 0 0 58 59 1 0 0 0 0 47 60 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 63 62 1 6 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 65 70 1 0 0 0 0 63 71 1 0 0 0 0 71 72 2 0 0 0 0 71 73 1 0 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 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 79 81 2 0 0 0 0 74 82 1 0 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 85 84 1 6 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 90 92 2 0 0 0 0 85 93 1 0 0 0 0 93 94 2 0 0 0 0 93 95 1 0 0 0 0 96 95 1 1 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 96104 1 0 0 0 0 104105 2 0 0 0 0 104106 1 0 0 0 0 107106 1 6 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110112 2 0 0 0 0 107113 1 0 0 0 0 113114 2 0 0 0 0 113115 1 0 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121123 2 0 0 0 0 116124 1 0 0 0 0 124125 2 0 0 0 0 124126 1 0 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 127135 1 0 0 0 0 135136 1 0 0 0 0 135137 2 0 0 0 0 M END > DB17277 > drugbank > N[C@H](CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(=O)N[C@H](CO)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CO)C(=O)N[C@H](CC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O > InChI=1S/C86H122F5N29O17/c87-64-49(65(88)67(90)68(91)66(64)89)39-60(118-80(135)62(42-122)120-77(132)59(38-47-40-109-51-19-8-7-18-48(47)51)117-79(134)61(41-121)119-70(125)50(92)36-44-25-27-46(28-26-44)69(124)45-16-5-2-6-17-45)78(133)116-58(37-43-14-3-1-4-15-43)76(131)113-54(22-11-33-106-84(98)99)72(127)110-52(20-9-31-104-82(94)95)71(126)111-53(21-10-32-105-83(96)97)73(128)114-56(29-30-63(93)123)75(130)112-55(23-12-34-107-85(100)101)74(129)115-57(81(136)137)24-13-35-108-86(102)103/h2,5-8,16-19,25-28,40,43,50,52-62,109,121-122H,1,3-4,9-15,20-24,29-39,41-42,92H2,(H2,93,123)(H,110,127)(H,111,126)(H,112,130)(H,113,131)(H,114,128)(H,115,129)(H,116,133)(H,117,134)(H,118,135)(H,119,125)(H,120,132)(H,136,137)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1 > DEZJGRPRBZSAKI-KMGSDFBDSA-N > C86H122F5N29O17 > 1929.1 > 1927.949364399 > 33 > 259 > 6.456292467827983 > 194.5026773941642 > 0 > 32 > 0 > 0 > (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-(4-benzoylphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(2,3,4,5,6-pentafluorophenyl)propanamido]-3-cyclohexylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid > -0.99 > -7.09561203453902 > -4.82 > 1 > 5 > 6 > 5 > 3.4673911210692716 > 12.637618905120457 > 809.3299999999999 > 535.8731 > 58 > 0 > 2.92e-02 g/l > (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-(4-benzoylphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(2,3,4,5,6-pentafluorophenyl)propanamido]-3-cyclohexylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid > 0 > DB17277 > investigational > CBP-501 > D-arginine, 4-benzoyl-d-phenylalanyl-d-seryl-d-tryptophyl-d-seryl-2,3,4,5,6-pentafluoro-d-phenylalanyl-3-cyclohexyl-d-alanyl-d-arginyl-d-arginyl-d-arginyl-d-glutaminyl-d-arginyl- > CBP-501 acetate $$$$