Basic Information |
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| Product Name： | BIOT-GGGLYLIYSQVLFKGQG-AMIDE |
| English Synonyms： | BIOT-GGGLYLIYSQVLFKGQG-AMIDE ; TNF-ALPHA (54-68) BIOTINYL/AMIDE [HOMO SAPIENS] |
| MDL Number.： | MFCD08274440 |
| H bond acceptor： | 47 |
| H bond donor： | 26 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 |
| InChi： | InChI=1S/C95H145N23O24S/c1-11-54(10)81(117-91(138)65(39-52(6)7)109-89(136)67(41-56-24-28-58(120)29-25-56)110-86(133)63(37-50(2)3)106-78(128)46-102-77(127)45-101-76(126)44-100-75(125)23-16-15-22-71-82-70(49-143-71)115-95(142)118-82)94(141)113-68(42-57-26-30-59(121)31-27-57)90(137)114-69(48-119)92(139)108-62(33-35-73(98)123)85(132)116-80(53(8)9)93(140)112-64(38-51(4)5)87(134)111-66(40-55-19-13-12-14-20-55)88(135)107-60(21-17-18-36-96)83(130)104-47-79(129)105-61(32-34-72(97)122)84(131)103-43-74(99)124/h12-14,19-20,24-31,50-54,60-71,80-82,119-121H,11,15-18,21-23,32-49,96H2,1-10H3,(H2,97,122)(H2,98,123)(H2,99,124)(H,100,125)(H,101,126)(H,102,127)(H,103,131)(H,104,130)(H,105,129)(H,106,128)(H,107,135)(H,108,139)(H,109,136)(H,110,133)(H,111,134)(H,112,140)(H,113,141)(H,114,137)(H,116,132)(H,117,138)(H2,115,118,142)/t54-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,80-,81-,82-/m0/s1 |
| InChiKey： | InChIKey=BWTKWIBNWRGDLV-IXZKYLSKSA-N |
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