basic_info |
|
| Product_Name: | AC-MET-TRP-ASP-PHE-ASP-ASP-LEU-ASN-PHE-THR-GLY-MET-PRO-PRO-ALA-ASP-GLU-ASP-TYR-SER-PRO-NH2 |
| EnglishSynonyms: | INTERLEUKIN-8 RECEPTOR ANTAGONIST (9-29) ; IL-8RA (9-29) ; AC-MET-TRP-ASP-PHE-ASP-ASP-LEU-ASN-PHE-THR-GLY-MET-PRO-PRO-ALA-ASP-GLU-ASP-TYR-SER-PRO-NH2 |
| pro_mdlNumber: | MFCD01318855 |
| pro_acceptors: | 62 |
| pro_donors: | 30 |
| pro_smile: | CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N[C@@H](CO)C(=O)N5CCC[C@H]5C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc7c[nH]c8c7cccc8)NC(=O)[C@H](CCSC)NC(=O)C |
| InChi: | InChI=1S/C112H150N24O38S2/c1-55(2)41-69(122-103(165)77(49-89(149)150)131-106(168)79(51-91(153)154)129-98(160)70(42-59-19-10-8-11-20-59)123-105(167)78(50-90(151)152)130-100(162)73(45-62-52-115-65-24-15-14-23-64(62)65)126-96(158)67(34-39-175-6)118-58(5)139)97(159)127-74(46-84(113)141)101(163)125-72(43-60-21-12-9-13-22-60)107(169)133-92(57(4)138)109(171)116-53-85(142)119-68(35-40-176-7)110(172)136-38-18-27-83(136)112(174)135-37-17-26-82(135)108(170)117-56(3)94(156)121-75(47-87(145)146)102(164)120-66(32-33-86(143)144)95(157)128-76(48-88(147)148)104(166)124-71(44-61-28-30-63(140)31-29-61)99(161)132-80(54-137)111(173)134-36-16-25-81(134)93(114)155/h8-15,19-24,28-31,52,55-57,66-83,92,115,137-138,140H,16-18,25-27,32-51,53-54H2,1-7H3,(H2,113,141)(H2,114,155)(H,116,171)(H,117,170)(H,118,139)(H,119,142)(H,120,164)(H,121,156)(H,122,165)(H,123,167)(H,124,166)(H,125,163)(H,126,158)(H,127,159)(H,128,157)(H,129,160)(H,130,162)(H,131,168)(H,132,161)(H,133,169)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)/t56-,57+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,92-/m0/s1 |
| InChiKey: | InChIKey=XKTZWUACRZHVAN-NRDBOQQFSA-N |
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