Basic Information |
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| Product Name： | ALWKTMLKKGTMALHAGK |
| English Synonyms： | [DES ALA20, GLN34] DERMASEPTIN ; H-ALA-LEU-TRP-LYS-THR-MET-LEU-LYS-LYS-GLY-THR-MET-ALA-LEU-HIS-ALA-GLY-LYS-OH ; ALWKTMLKKGTMALHAGK |
| MDL Number.： | MFCD09842371 |
| H bond acceptor： | 46 |
| H bond donor： | 27 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C)N |
| InChi： | InChI=1S/C90H153N25O21S2/c1-48(2)38-66(109-75(120)51(7)95)85(130)112-69(41-56-43-97-59-25-15-14-24-58(56)59)87(132)106-62(28-18-22-34-93)82(127)115-74(55(11)117)89(134)108-64(31-37-138-13)81(126)111-68(40-50(5)6)84(129)105-61(27-17-21-33-92)80(125)104-60(26-16-20-32-91)78(123)99-46-72(119)114-73(54(10)116)88(133)107-63(30-36-137-12)79(124)102-53(9)77(122)110-67(39-49(3)4)86(131)113-70(42-57-44-96-47-100-57)83(128)101-52(8)76(121)98-45-71(118)103-65(90(135)136)29-19-23-35-94/h14-15,24-25,43-44,47-55,60-70,73-74,97,116-117H,16-23,26-42,45-46,91-95H2,1-13H3,(H,96,100)(H,98,121)(H,99,123)(H,101,128)(H,102,124)(H,103,118)(H,104,125)(H,105,129)(H,106,132)(H,107,133)(H,108,134)(H,109,120)(H,110,122)(H,111,126)(H,112,130)(H,113,131)(H,114,119)(H,115,127)(H,135,136)/t51-,52-,53-,54+,55+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-,74-/m0/s1 |
| InChiKey： | InChIKey=HRSXOLICKBONDS-PCEDFYCPSA-N |
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