Basic Information |
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| Product Name： | H2N-VRSSSRTPSDKPVAHVVAGGK(BIOT)-AMIDE |
| English Synonyms： | H2N-VRSSSRTPSDKPVAHVVAGGK(BIOT)-AMIDE ; TNF-ALPHA (1-18) BIOTINYL/AMIDE [HOMO SAPIENS] |
| MDL Number.： | MFCD08274432 |
| H bond acceptor： | 64 |
| H bond donor： | 37 |
| Smile： | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C(=O)N)N |
| InChi： | InChI=1S/C100H170N34O30S/c1-47(2)73(102)92(158)119-56(24-18-32-110-98(104)105)82(148)123-62(42-136)88(154)125-63(43-137)89(155)124-61(41-135)86(152)118-57(25-19-33-111-99(106)107)83(149)131-77(53(11)139)97(163)134-35-21-26-66(134)90(156)126-64(44-138)87(153)122-60(37-72(143)144)84(150)120-58(23-14-16-30-101)96(162)133-34-20-27-67(133)91(157)129-74(48(3)4)93(159)116-52(10)81(147)121-59(36-54-38-108-46-114-54)85(151)128-76(50(7)8)95(161)130-75(49(5)6)94(160)115-51(9)80(146)113-39-70(141)112-40-71(142)117-55(79(103)145)22-15-17-31-109-69(140)29-13-12-28-68-78-65(45-165-68)127-100(164)132-78/h38,46-53,55-68,73-78,135-139H,12-37,39-45,101-102H2,1-11H3,(H2,103,145)(H,108,114)(H,109,140)(H,112,141)(H,113,146)(H,115,160)(H,116,159)(H,117,142)(H,118,152)(H,119,158)(H,120,150)(H,121,147)(H,122,153)(H,123,148)(H,124,155)(H,125,154)(H,126,156)(H,128,151)(H,129,157)(H,130,161)(H,131,149)(H,143,144)(H4,104,105,110)(H4,106,107,111)(H2,127,132,164)/t51-,52-,53+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-,77-,78-/m0/s1 |
| InChiKey： | InChIKey=NBLPSMMTCQESTI-KRUAGMIHSA-N |
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