Basic Information |
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| Product Name： | BIOT-GGLRDNQLVVPSEGLYLI-AMIDE |
| English Synonyms： | BIOT-GGLRDNQLVVPSEGLYLI-AMIDE ; TNF-ALPHA (43-58) BIOTINYL/AMIDE [HOMO SAPIENS] |
| MDL Number.： | MFCD08274439 |
| H bond acceptor： | 54 |
| H bond donor： | 29 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 |
| InChi： | InChI=1S/C97H158N26O28S/c1-15-52(14)79(81(100)136)121-91(146)61(37-49(8)9)113-87(142)62(38-53-24-26-54(125)27-25-53)114-86(141)59(35-47(4)5)108-74(131)43-106-82(137)56(29-31-75(132)133)110-92(147)65(44-124)117-93(148)67-21-19-33-123(67)95(150)78(51(12)13)120-94(149)77(50(10)11)119-90(145)60(36-48(6)7)112-84(139)57(28-30-69(98)126)111-88(143)63(39-70(99)127)115-89(144)64(40-76(134)135)116-83(138)55(20-18-32-103-96(101)102)109-85(140)58(34-46(2)3)107-73(130)42-105-72(129)41-104-71(128)23-17-16-22-68-80-66(45-152-68)118-97(151)122-80/h24-27,46-52,55-68,77-80,124-125H,15-23,28-45H2,1-14H3,(H2,98,126)(H2,99,127)(H2,100,136)(H,104,128)(H,105,129)(H,106,137)(H,107,130)(H,108,131)(H,109,140)(H,110,147)(H,111,143)(H,112,139)(H,113,142)(H,114,141)(H,115,144)(H,116,138)(H,117,148)(H,119,145)(H,120,149)(H,121,146)(H,132,133)(H,134,135)(H4,101,102,103)(H2,118,122,151)/t52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,77-,78-,79-,80-/m0/s1 |
| InChiKey： | InChIKey=QWMPEMRYIGJSIF-CBJPSGJLSA-N |
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