basic_info |
|
| Product_Name： | SIVMAC239 GAG-44 |
| EnglishSynonyms： | H-GLN-ALA-GLY-PHE-LEU-GLY-LEU-GLY-PRO-TRP-GLY-LYS-LYS-PRO-ARG-ASN-PHE-PRO-MET-ALA-OH ; QAGFLGLGPWGKKPRNFPMA ; SIVMAC239 GAG-44 |
| pro_mdlNumber： | MFCD03790641 |
| pro_acceptors： | 51 |
| pro_donors： | 26 |
| pro_smile： | CC(C)C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc5ccccc5)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc7ccccc7)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)N |
| InChi： | InChI=1S/C102H154N28O23S/c1-57(2)46-71(119-84(135)55-113-89(140)72(47-58(3)4)124-94(145)73(48-61-24-10-8-11-25-61)120-83(134)53-112-86(137)59(5)116-87(138)65(105)36-37-80(106)131)88(139)115-56-85(136)128-42-21-33-77(128)96(147)126-74(50-63-52-111-66-29-15-14-28-64(63)66)90(141)114-54-82(133)118-67(30-16-18-39-103)92(143)123-70(31-17-19-40-104)99(150)129-43-22-34-78(129)97(148)121-68(32-20-41-110-102(108)109)93(144)125-75(51-81(107)132)95(146)127-76(49-62-26-12-9-13-27-62)100(151)130-44-23-35-79(130)98(149)122-69(38-45-154-7)91(142)117-60(6)101(152)153/h8-15,24-29,52,57-60,65,67-79,111H,16-23,30-51,53-56,103-105H2,1-7H3,(H2,106,131)(H2,107,132)(H,112,137)(H,113,140)(H,114,141)(H,115,139)(H,116,138)(H,117,142)(H,118,133)(H,119,135)(H,120,134)(H,121,148)(H,122,149)(H,123,143)(H,124,145)(H,125,144)(H,126,147)(H,127,146)(H,152,153)(H4,108,109,110)/t59-,60-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1 |
| InChiKey： | InChIKey=MPQDHUWSOIPCGL-MYAMATLWSA-N |
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