Basic Information |
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| Product Name： | SIVMAC239 GAG-17 |
| English Synonyms： | SIVMAC239 GAG-17 ; IEEKKFGAEVVPGFQALSEG ; H-ILE-GLU-GLU-LYS-LYS-PHE-GLY-ALA-GLU-VAL-VAL-PRO-GLY-PHE-GLN-ALA-LEU-SER-GLU-GLY-OH |
| MDL Number.： | MFCD03790615 |
| H bond acceptor： | 54 |
| H bond donor： | 28 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)N |
| InChi： | InChI=1S/C97H151N23O31/c1-11-53(8)78(101)95(149)114-63(33-38-75(129)130)89(143)112-62(32-37-74(127)128)88(142)110-58(27-18-20-40-98)86(140)109-59(28-19-21-41-99)87(141)116-66(44-56-23-14-12-15-24-56)84(138)102-46-71(123)105-54(9)81(135)108-64(34-39-76(131)132)90(144)118-79(51(4)5)96(150)119-80(52(6)7)97(151)120-42-22-29-69(120)94(148)103-47-72(124)107-67(45-57-25-16-13-17-26-57)92(146)113-61(30-35-70(100)122)85(139)106-55(10)82(136)115-65(43-50(2)3)91(145)117-68(49-121)93(147)111-60(31-36-73(125)126)83(137)104-48-77(133)134/h12-17,23-26,50-55,58-69,78-80,121H,11,18-22,27-49,98-99,101H2,1-10H3,(H2,100,122)(H,102,138)(H,103,148)(H,104,137)(H,105,123)(H,106,139)(H,107,124)(H,108,135)(H,109,140)(H,110,142)(H,111,147)(H,112,143)(H,113,146)(H,114,149)(H,115,136)(H,116,141)(H,117,145)(H,118,144)(H,119,150)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t53-,54-,55-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,78-,79-,80-/m0/s1 |
| InChiKey： | InChIKey=DCEASKQQKCMXEF-IGNAGGFTSA-N |
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