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103239 1 0 0 0 0 103240 1 0 0 0 0 104241 1 0 0 0 0 104242 1 0 0 0 0 104243 1 0 0 0 0 105108 1 0 0 0 0 105244 1 0 0 0 0 105245 1 0 0 0 0 106107 1 0 0 0 0 107109 1 0 0 0 0 107246 1 0 0 0 0 108249 1 0 0 0 0 108250 1 0 0 0 0 109110 1 0 0 0 0 109251 1 0 0 0 0 109252 1 0 0 0 0 110112 2 0 0 0 0 110113 1 0 0 0 0 111114 1 0 0 0 0 112115 1 0 0 0 0 112260 1 0 0 0 0 113116 2 0 0 0 0 113261 1 0 0 0 0 114262 1 0 0 0 0 114263 1 0 0 0 0 115119 2 0 0 0 0 115264 1 0 0 0 0 116119 1 0 0 0 0 116265 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 117266 1 0 0 0 0 118120 1 0 0 0 0 118267 1 0 0 0 0 118268 1 0 0 0 0 120125 1 0 0 0 0 120126 1 0 0 0 0 120269 1 0 0 0 0 121123 1 0 0 0 0 121127 1 0 0 0 0 121271 1 0 0 0 0 124129 1 0 0 0 0 125273 1 0 0 0 0 125274 1 0 0 0 0 125275 1 0 0 0 0 126276 1 0 0 0 0 126277 1 0 0 0 0 126278 1 0 0 0 0 127135 1 0 0 0 0 127279 1 0 0 0 0 128134 1 0 0 0 0 128136 1 0 0 0 0 128280 1 0 0 0 0 129139 1 0 0 0 0 129282 1 0 0 0 0 130131 1 0 0 0 0 130132 1 0 0 0 0 130281 1 0 0 0 0 131133 1 0 0 0 0 131285 1 0 0 0 0 131286 1 0 0 0 0 133138 1 0 0 0 0 133142 2 0 0 0 0 134144 1 0 0 0 0 134288 1 0 0 0 0 134289 1 0 0 0 0 135290 1 0 0 0 0 135291 1 0 0 0 0 135292 1 0 0 0 0 137140 1 0 0 0 0 137143 1 0 0 0 0 137293 1 0 0 0 0 138141 1 0 0 0 0 138145 2 0 0 0 0 139295 1 0 0 0 0 139296 1 0 0 0 0 139297 1 0 0 0 0 141147 2 0 0 0 0 142300 1 0 0 0 0 143303 1 0 0 0 0 143304 1 0 0 0 0 145148 1 0 0 0 0 145305 1 0 0 0 0 146149 1 0 0 0 0 147150 1 0 0 0 0 147306 1 0 0 0 0 148150 2 0 0 0 0 148307 1 0 0 0 0 149308 1 0 0 0 0 149309 1 0 0 0 0 150310 1 0 0 0 0 151315 1 0 0 0 0 151316 1 0 0 0 0 151317 1 0 0 0 0 M END > 71508528 > 1 > 4490 > 28 > 28 > 59 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB9AAAHgAQCAAADbzhngY+xvPJkgCoAzV3VACCgCAxIiAI2aG+bJgKdv7C0bOUcAhm9hHY2AedyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]butanoyl]amino]-4-methyl-pentanoyl]amino]-N-[(1S)-1-(hydroxymethyl)-2-[[(1S)-2-[[2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-[[(1S)-3-methyl-1-[[(1S)-3-methyl-1-[[2-oxo-2-[(2S)-2-[[(3S,6S,9S,12S,16Z,21S)-3,6,9-tris(4-aminobutyl)-21-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]-12,21-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohenicos-16-en-12-yl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamoyl]butyl]carbamoyl]butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]butanediamide > (2S)-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[2-oxo-2-[(2S)-2-[oxo-[[(3S,6S,9S,12S,16Z,21S)-3,6,9-tris(4-aminobutyl)-21-[[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-oxomethyl]-12,21-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazacycloheneicos-16-en-12-yl]amino]methyl]-1-pyrrolidinyl]ethyl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(methylamino)-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]butanediamide > (2S)-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[2-oxo-2-[(2S)-2-[[(3S,6S,9S,12S,16Z,21S)-3,6,9-tris(4-aminobutyl)-21-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]-12,21-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohenicos-16-en-12-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]butanediamide > (2S)-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[2-oxo-2-[(2S)-2-[[(3S,6S,9S,12S,16Z,21S)-3,6,9-tris(4-aminobutyl)-21-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]-12,21-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohenicos-16-en-12-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]butanediamide > (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[2-oxidanylidene-2-[(2S)-2-[[(3S,6S,9S,12S,16Z,21S)-3,6,9-tris(4-azanylbutyl)-21-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]carbamoyl]-12,21-dimethyl-2,5,8,11-tetrakis(oxidanylidene)-1,4,7,10-tetrazacyclohenicos-16-en-12-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[2-(methylamino)ethanoylamino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]butanediamide > (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-[[(1S)-1-[[(1S)-1-[[2-keto-2-[(2S)-2-[[(3S,6S,9S,12S,16Z,21S)-3,6,9-tris(4-aminobutyl)-21-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]-2,5,8,11-tetraketo-12,21-dimethyl-1,4,7,10-tetrazacycloheneicos-16-en-12-yl]carbamoyl]pyrrolidino]ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methylol-ethyl]-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-(sarcosylamino)propanoyl]amino]butanoyl]amino]-4-methyl-pentanoyl]amino]succinamide > InChI=1S/C102H166N26O23/c1-58(2)47-72(87(138)112-56-83(135)128-46-28-35-79(128)97(148)127-102(10)41-23-15-13-12-14-22-40-101(9,99(150)123-68(85(108)136)31-18-24-42-103)126-96(147)71(34-21-27-45-106)117-88(139)69(32-19-25-43-104)116-89(140)70(124-100(102)151)33-20-26-44-105)118-90(141)73(48-59(3)4)119-92(143)75(50-63-36-38-65(131)39-37-63)114-82(134)55-111-86(137)61(7)113-95(146)78(57-129)122-93(144)77(52-80(107)132)120-91(142)74(49-60(5)6)121-98(149)84(62(8)130)125-94(145)76(115-81(133)54-109-11)51-64-53-110-67-30-17-16-29-66(64)67/h12-13,16-17,29-30,36-39,53,58-62,68-79,84,109-110,129-131H,14-15,18-28,31-35,40-52,54-57,103-106H2,1-11H3,(H2,107,132)(H2,108,136)(H,111,137)(H,112,138)(H,113,146)(H,114,134)(H,115,133)(H,116,140)(H,117,139)(H,118,141)(H,119,143)(H,120,142)(H,121,149)(H,122,144)(H,123,150)(H,124,151)(H,125,145)(H,126,147)(H,127,148)/b13-12-/t61-,62+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-,101-,102-/m0/s1 > YNKZSERNMFMKEM-SYMLQIECSA-N > -1.3 > 2124.26527048 > C102H166N26O23 > 2124.6 > CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC2(CCCC=CCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCCCN)CCCCN)CCCCN)(C)C(=O)NC(CCCCN)C(=O)N)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)CNC > C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@]3(CCC/C=C\CCC[C@@](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCCN)CCCCN)CCCCN)(C)C(=O)N[C@@H](CCCCN)C(=O)N)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CNC)O > 794 > 2123.26191565 > 0 > 151 > 17 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 110 112 8 110 113 8 112 115 8 113 116 8 115 119 8 116 119 8 133 138 8 133 142 8 138 141 8 138 145 8 127 14 6 141 147 8 145 148 8 147 150 8 148 150 8 54 25 5 69 30 6 94 32 6 88 34 5 107 38 6 117 41 6 128 42 5 121 43 5 129 44 5 130 45 6 137 46 6 47 141 8 47 142 8 50 55 5 62 64 6 68 82 6 71 78 6 79 85 6 $$$$