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62 1 0 0 0 0 58155 1 0 0 0 0 58156 1 0 0 0 0 60 66 1 0 0 0 0 60158 1 0 0 0 0 60159 1 0 0 0 0 61160 1 0 0 0 0 61161 1 0 0 0 0 61162 1 0 0 0 0 62 70 1 0 0 0 0 62163 1 0 0 0 0 62164 1 0 0 0 0 63 68 1 0 0 0 0 63 72 1 0 0 0 0 63165 1 0 0 0 0 64 65 1 0 0 0 0 64 67 1 6 0 0 0 64167 1 0 0 0 0 66 73 1 0 0 0 0 66168 1 0 0 0 0 66169 1 0 0 0 0 67 69 1 0 0 0 0 67170 1 0 0 0 0 67171 1 0 0 0 0 68 71 1 0 0 0 0 68172 1 0 0 0 0 68173 1 0 0 0 0 69 78 1 0 0 0 0 69 79 1 0 0 0 0 69174 1 0 0 0 0 70175 1 0 0 0 0 70176 1 0 0 0 0 71 76 1 0 0 0 0 71177 1 0 0 0 0 71178 1 0 0 0 0 73 84 2 0 0 0 0 73180 1 0 0 0 0 74 75 1 0 0 0 0 74 87 1 0 0 0 0 74 88 1 0 0 0 0 75 80 1 0 0 0 0 75181 1 0 0 0 0 75182 1 0 0 0 0 76 86 1 0 0 0 0 76183 1 0 0 0 0 76184 1 0 0 0 0 77 85 1 0 0 0 0 77 91 1 0 0 0 0 77185 1 0 0 0 0 78187 1 0 0 0 0 78188 1 0 0 0 0 78189 1 0 0 0 0 79190 1 0 0 0 0 79191 1 0 0 0 0 79192 1 0 0 0 0 80 82 1 0 0 0 0 80193 1 0 0 0 0 80194 1 0 0 0 0 81 83 1 0 0 0 0 82 84 1 0 0 0 0 82195 1 0 0 0 0 82196 1 0 0 0 0 83 89 1 6 0 0 0 83197 1 0 0 0 0 84198 1 0 0 0 0 85 90 1 0 0 0 0 85199 1 0 0 0 0 85200 1 0 0 0 0 86206 1 0 0 0 0 86207 1 0 0 0 0 87203 1 0 0 0 0 87204 1 0 0 0 0 87205 1 0 0 0 0 89 96 1 0 0 0 0 89209 1 0 0 0 0 89210 1 0 0 0 0 90 92 1 0 0 0 0 90211 1 0 0 0 0 90212 1 0 0 0 0 92100 1 0 0 0 0 92215 1 0 0 0 0 92216 1 0 0 0 0 93 98 1 0 0 0 0 94 95 1 0 0 0 0 94217 1 0 0 0 0 94218 1 0 0 0 0 96103 2 0 0 0 0 96104 1 0 0 0 0 97 99 1 0 0 0 0 97105 1 0 0 0 0 97221 1 0 0 0 0 98102 1 0 0 0 0 98220 1 0 0 0 0 99101 1 0 0 0 0 99224 1 0 0 0 0 99225 1 0 0 0 0 100226 1 0 0 0 0 100227 1 0 0 0 0 101110 1 0 0 0 0 101230 1 0 0 0 0 101231 1 0 0 0 0 102228 1 0 0 0 0 102229 1 0 0 0 0 103113 1 0 0 0 0 103233 1 0 0 0 0 104114 2 0 0 0 0 104234 1 0 0 0 0 106108 1 0 0 0 0 106115 1 0 0 0 0 106235 1 0 0 0 0 107109 1 0 0 0 0 107112 1 0 0 0 0 107236 1 0 0 0 0 109111 1 0 0 0 0 109237 1 0 0 0 0 109238 1 0 0 0 0 110118 1 0 0 0 0 110239 1 0 0 0 0 110240 1 0 0 0 0 111120 1 0 0 0 0 111121 1 0 0 0 0 111241 1 0 0 0 0 113116 2 0 0 0 0 113243 1 0 0 0 0 114116 1 0 0 0 0 114244 1 0 0 0 0 115124 1 0 0 0 0 115247 1 0 0 0 0 115248 1 0 0 0 0 117119 1 0 0 0 0 117122 1 0 0 0 0 117250 1 0 0 0 0 118251 1 0 0 0 0 118252 1 0 0 0 0 120253 1 0 0 0 0 120254 1 0 0 0 0 120255 1 0 0 0 0 121256 1 0 0 0 0 121257 1 0 0 0 0 121258 1 0 0 0 0 122127 1 0 0 0 0 122262 1 0 0 0 0 123125 1 0 0 0 0 123126 1 0 0 0 0 123264 1 0 0 0 0 126128 1 0 0 0 0 126265 1 0 0 0 0 126266 1 0 0 0 0 127267 1 0 0 0 0 127268 1 0 0 0 0 127269 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 129131 1 0 0 0 0 129133 2 0 0 0 0 130277 1 0 0 0 0 131134 2 0 0 0 0 132135 1 0 0 0 0 133136 1 0 0 0 0 133279 1 0 0 0 0 134137 1 0 0 0 0 134280 1 0 0 0 0 135281 1 0 0 0 0 135282 1 0 0 0 0 136137 2 0 0 0 0 136283 1 0 0 0 0 137284 1 0 0 0 0 138286 1 0 0 0 0 138287 1 0 0 0 0 138288 1 0 0 0 0 M END > 71508527 > 1 > 4030 > 26 > 26 > 53 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB9AAAHgAQCAAADbzhngY+xvPJkgCoAzV3VACCgCAxIiAI2aG+bJgKdv7C0bOUcAhm9hHY2AedyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-N-[(1S)-2-[[(3S,6S,12S,16Z,21S)-21-[[2-[(2S)-2-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-6-[(4-hydroxyphenyl)methyl]-3-isobutyl-12,21-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohenicos-16-en-12-yl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-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]butanediamide > (2S)-N-[(2S)-1-[[(3S,6S,12S,16Z,21S)-21-[[[2-[(2S)-2-[[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]-6-[(4-hydroxyphenyl)methyl]-12,21-dimethyl-3-(2-methylpropyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacycloheneicos-16-en-12-yl]amino]-3-hydroxy-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)-1-[[(3S,6S,12S,16Z,21S)-21-[[2-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]-6-[(4-hydroxyphenyl)methyl]-12,21-dimethyl-3-(2-methylpropyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohenicos-16-en-12-yl]amino]-3-hydroxy-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-[[(3S,6S,12S,16Z,21S)-21-[[2-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]-6-[(4-hydroxyphenyl)methyl]-12,21-dimethyl-3-(2-methylpropyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohenicos-16-en-12-yl]amino]-3-hydroxy-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-[[(3S,6S,12S,16Z,21S)-21-[[2-[(2S)-2-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoyl]-6-[(4-hydroxyphenyl)methyl]-12,21-dimethyl-3-(2-methylpropyl)-2,5,8,11-tetrakis(oxidanylidene)-1,4,7,10-tetrazacyclohenicos-16-en-12-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-[[(3S,6S,12S,16Z,21S)-21-[[2-[(2S)-2-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]pyrrolidino]-2-keto-ethyl]carbamoyl]-6-(4-hydroxybenzyl)-3-isobutyl-2,5,8,11-tetraketo-12,21-dimethyl-1,4,7,10-tetrazacycloheneicos-16-en-12-yl]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/C93H150N24O21/c1-54(2)44-66(112-89(136)77(56(5)119)114-85(132)69(105-74(122)50-100-8)47-58-49-101-61-27-14-13-26-60(58)61)82(129)111-70(48-73(98)121)84(131)113-71(53-118)87(134)116-92(6)37-19-11-9-10-12-20-38-93(7,115-86(133)67(45-55(3)4)110-83(130)68(104-75(123)51-102-90(92)137)46-57-33-35-59(120)36-34-57)91(138)103-52-76(124)117-43-25-32-72(117)88(135)109-65(31-18-24-42-97)81(128)108-64(30-17-23-41-96)80(127)107-63(29-16-22-40-95)79(126)106-62(78(99)125)28-15-21-39-94/h9-10,13-14,26-27,33-36,49,54-56,62-72,77,100-101,118-120H,11-12,15-25,28-32,37-48,50-53,94-97H2,1-8H3,(H2,98,121)(H2,99,125)(H,102,137)(H,103,138)(H,104,123)(H,105,122)(H,106,126)(H,107,127)(H,108,128)(H,109,135)(H,110,130)(H,111,129)(H,112,136)(H,113,131)(H,114,132)(H,115,133)(H,116,134)/b10-9-/t56-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,77+,92+,93+/m1/s1 > KUXHDYOSWPUVOX-OUQXGQDDSA-N > -1.6 > 1939.14073789 > C93H150N24O21 > 1940.3 > CC(C)CC1C(=O)NC(CCCC=CCCCC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)(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(CC3=CNC4=CC=CC=C43)NC(=O)CNC)(C)C(=O)NCC(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N > 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@]1(CCC/C=C\CCC[C@@](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CC2=CC=C(C=C2)O)CC(C)C)(C)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CNC)O > 736 > 1939.14073789 > 0 > 138 > 15 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 103 113 8 104 114 8 113 116 8 114 116 8 128 129 8 128 130 8 129 131 8 129 133 8 131 134 8 133 136 8 134 137 8 136 137 8 122 17 5 52 23 5 63 26 6 77 28 5 74 30 5 97 33 6 98 35 5 106 36 5 107 38 6 117 40 6 123 42 5 44 130 8 44 131 8 46 50 5 54 61 6 64 67 6 83 89 6 96 103 8 96 104 8 $$$$