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0 0 170171 1 1 0 0 0 171172 2 0 0 0 0 171173 1 0 0 0 0 174173 1 6 0 0 0 174175 1 0 0 0 0 175176 1 0 0 0 0 176177 1 0 0 0 0 177178 1 0 0 0 0 178179 1 0 0 0 0 179180 2 0 0 0 0 179181 1 0 0 0 0 174182 1 0 0 0 0 182183 2 0 0 0 0 182184 1 0 0 0 0 185184 1 1 0 0 0 185186 1 0 0 0 0 186187 1 0 0 0 0 187188 1 0 0 0 0 188189 1 0 0 0 0 189190 1 0 0 0 0 190191 2 0 0 0 0 190192 1 0 0 0 0 185193 1 0 0 0 0 193194 2 0 0 0 0 193195 1 0 0 0 0 196195 1 6 0 0 0 196197 1 0 0 0 0 197198 1 0 0 0 0 198199 1 0 0 0 0 199200 1 0 0 0 0 200201 1 0 0 0 0 201202 2 0 0 0 0 201203 1 0 0 0 0 196204 1 0 0 0 0 204205 2 0 0 0 0 204206 1 0 0 0 0 207206 1 1 0 0 0 207208 1 0 0 0 0 208209 1 0 0 0 0 209210 1 0 0 0 0 210211 2 0 0 0 0 210212 1 0 0 0 0 207213 1 0 0 0 0 213214 2 0 0 0 0 213215 1 0 0 0 0 216215 1 6 0 0 0 216217 1 0 0 0 0 217218 1 0 0 0 0 218219 1 0 0 0 0 219220 1 0 0 0 0 220221 1 0 0 0 0 221222 2 0 0 0 0 221223 1 0 0 0 0 216224 1 0 0 0 0 224225 2 0 0 0 0 224226 1 0 0 0 0 227226 1 1 0 0 0 227228 1 0 0 0 0 228229 1 0 0 0 0 229230 1 0 0 0 0 230231 1 0 0 0 0 231232 1 0 0 0 0 232233 2 0 0 0 0 232234 1 0 0 0 0 227235 1 0 0 0 0 235236 2 0 0 0 0 235237 1 0 0 0 0 238237 1 6 0 0 0 238239 1 0 0 0 0 239240 1 0 0 0 0 240241 1 0 0 0 0 241242 1 0 0 0 0 242243 1 0 0 0 0 238244 1 0 0 0 0 244245 2 0 0 0 0 244246 1 0 0 0 0 247246 1 1 0 0 0 247248 1 0 0 0 0 248249 1 0 0 0 0 249250 1 0 0 0 0 250251 1 0 0 0 0 251252 1 0 0 0 0 247253 1 0 0 0 0 253254 2 0 0 0 0 253255 1 0 0 0 0 256255 1 1 0 0 0 256257 1 0 0 0 0 257258 1 0 0 0 0 258259 1 0 0 0 0 259260 1 0 0 0 0 260261 1 0 0 0 0 261262 2 0 0 0 0 261263 1 0 0 0 0 256264 1 0 0 0 0 264265 2 0 0 0 0 264266 1 0 0 0 0 266267 1 0 0 0 0 267268 1 0 0 0 0 268269 2 0 0 0 0 268270 1 0 0 0 0 M END > DB05660 > drugbank > CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(O)=O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=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)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(O)=O > InChI=1S/C164H285N65O41/c1-84(2)77-106(216-139(254)108(79-89-33-10-9-11-34-89)219-146(261)112-48-28-72-225(112)153(268)105(55-58-119(171)235)215-148(263)123(86(5)6)221-147(262)115-51-29-73-226(115)151(266)103(45-25-69-198-163(187)188)213-142(257)110(83-230)220-137(252)100(53-56-117(169)233)201-126(241)90(168)80-121(237)238)138(253)218-109(81-120(172)236)140(255)217-107(78-85(3)4)141(256)222-124(87(7)231)149(264)223-125(88(8)232)155(270)228-75-31-50-114(228)144(259)211-99(44-24-68-197-162(185)186)135(250)212-102(37-14-17-61-167)150(265)224-71-27-47-111(224)145(260)214-104(46-26-70-199-164(189)190)152(267)229-76-32-52-116(229)154(269)227-74-30-49-113(227)143(258)210-98(43-23-67-196-161(183)184)134(249)207-95(40-20-64-193-158(177)178)131(246)206-97(42-22-66-195-160(181)182)133(248)209-101(54-57-118(170)234)136(251)208-96(41-21-65-194-159(179)180)132(247)205-94(39-19-63-192-157(175)176)130(245)204-93(36-13-16-60-166)129(244)203-92(35-12-15-59-165)128(243)202-91(38-18-62-191-156(173)174)127(242)200-82-122(239)240/h9-11,33-34,84-88,90-116,123-125,230-232H,12-32,35-83,165-168H2,1-8H3,(H2,169,233)(H2,170,234)(H2,171,235)(H2,172,236)(H,200,242)(H,201,241)(H,202,243)(H,203,244)(H,204,245)(H,205,247)(H,206,246)(H,207,249)(H,208,251)(H,209,248)(H,210,258)(H,211,259)(H,212,250)(H,213,257)(H,214,260)(H,215,263)(H,216,254)(H,217,255)(H,218,253)(H,219,261)(H,220,252)(H,221,262)(H,222,256)(H,223,264)(H,237,238)(H,239,240)(H4,173,174,191)(H4,175,176,192)(H4,177,178,193)(H4,179,180,194)(H4,181,182,195)(H4,183,184,196)(H4,185,186,197)(H4,187,188,198)(H4,189,190,199)/t87-,88-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,123+,124+,125+/m0/s1 > HRMVIAFZYCCHGF-BMCUWHFPSA-N > C164H285N65O41 > 3823.498 > 3821.221443857 > 72 > 555 > 10.940174862205867 > 408.2154876401867 > 0 > 64 > 0 > 0 > (3R)-3-amino-3-{[(1R)-1-{[(1R)-1-{[(2R)-1-[(2R)-2-{[(1R)-1-{[(2R)-1-[(2R)-2-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R,2S)-1-{[(2R,3S)-1-[(2R)-2-{[(1R)-1-{[(2R)-6-amino-1-[(2R)-2-{[(2R)-1-[(2R)-2-[(2R)-2-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-5-amino-1-{[(1R)-5-amino-1-{[(1R)-4-carbamimidamido-1-[(carboxymethyl)carbamoyl]butyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-4-carbamoyl-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}propanoic acid > -27.021299350666666 > 1 > 11 > 7 > 11 > 12.800714589842006 > 1789.0899999999986 > 1059.9900999999993 > 126 > 0 > (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}-3-(3H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]succinamide > 0 > DB05660 > investigational > D-JNKI-1 > D-JNKI 1 peptide $$$$