basic_info |
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| Product_Name： | BIOT-GGLSAEINRPDYLDFAESGQV-AMIDE |
| EnglishSynonyms： | TNF-ALPHA (132-150) BIOTINYL/AMIDE [HOMO SAPIENS] ; BIOT-GGLSAEINRPDYLDFAESGQV-AMIDE |
| pro_mdlNumber： | MFCD08274437 |
| pro_acceptors： | 65 |
| pro_donors： | 35 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 |
| InChi： | InChI=1S/C107H163N29O36S/c1-11-53(8)86(134-94(160)61(31-34-82(148)149)122-90(156)55(10)118-102(168)71(48-138)131-96(162)63(37-50(2)3)120-79(144)45-115-78(143)44-114-77(142)24-16-15-23-74-87-72(49-173-74)132-107(172)135-87)104(170)129-67(41-76(109)141)99(165)123-62(21-17-35-113-106(111)112)105(171)136-36-18-22-73(136)103(169)128-69(43-84(152)153)101(167)126-66(40-57-25-27-58(139)28-26-57)98(164)124-64(38-51(4)5)97(163)127-68(42-83(150)151)100(166)125-65(39-56-19-13-12-14-20-56)95(161)117-54(9)89(155)121-60(30-33-81(146)147)92(158)130-70(47-137)91(157)116-46-80(145)119-59(29-32-75(108)140)93(159)133-85(52(6)7)88(110)154/h12-14,19-20,25-28,50-55,59-74,85-87,137-139H,11,15-18,21-24,29-49H2,1-10H3,(H2,108,140)(H2,109,141)(H2,110,154)(H,114,142)(H,115,143)(H,116,157)(H,117,161)(H,118,168)(H,119,145)(H,120,144)(H,121,155)(H,122,156)(H,123,165)(H,124,164)(H,125,166)(H,126,167)(H,127,163)(H,128,169)(H,129,170)(H,130,158)(H,131,162)(H,133,159)(H,134,160)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H4,111,112,113)(H2,132,135,172)/t53-,54-,55-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-,86-,87-/m0/s1 |
| InChiKey： | InChIKey=JXBFZBNFZLGAEZ-DNBQJNDHSA-N |
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