Basic Information |
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| Product Name： | QEKQNTVATAHGFFLRENEG |
| English Synonyms： | QEKQNTVATAHGFFLRENEG ; TUMOR NECROSIS FACTOR RECEPTOR (159-178) ANALOG ; TNFR (159-178) ANALOG |
| MDL Number.： | MFCD18252158 |
| H bond acceptor： | 63 |
| H bond donor： | 35 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)N |
| InChi： | InChI=1S/C98H150N30O33/c1-46(2)36-62(90(154)117-57(23-17-35-108-98(105)106)86(150)120-61(28-33-75(140)141)89(153)124-66(40-70(103)133)93(157)118-58(26-31-73(136)137)83(147)110-44-76(142)143)122-92(156)64(38-53-20-13-10-14-21-53)123-91(155)63(37-52-18-11-9-12-19-52)114-72(135)43-109-84(148)65(39-54-42-107-45-111-54)121-80(144)48(5)113-96(160)78(50(7)129)127-81(145)49(6)112-95(159)77(47(3)4)126-97(161)79(51(8)130)128-94(158)67(41-71(104)134)125-88(152)59(25-30-69(102)132)119-85(149)56(22-15-16-34-99)116-87(151)60(27-32-74(138)139)115-82(146)55(100)24-29-68(101)131/h9-14,18-21,42,45-51,55-67,77-79,129-130H,15-17,22-41,43-44,99-100H2,1-8H3,(H2,101,131)(H2,102,132)(H2,103,133)(H2,104,134)(H,107,111)(H,109,148)(H,110,147)(H,112,159)(H,113,160)(H,114,135)(H,115,146)(H,116,151)(H,117,154)(H,118,157)(H,119,149)(H,120,150)(H,121,144)(H,122,156)(H,123,155)(H,124,153)(H,125,152)(H,126,161)(H,127,145)(H,128,158)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H4,105,106,108)/t48-,49-,50+,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,77-,78-,79-/m0/s1 |
| InChiKey： | InChIKey=NVWLYDVLQWUOIA-WEETYVKNSA-N |
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