basic_info |
|
| Product_Name： | SIVMAC239 GAG-31 |
| EnglishSynonyms： | FYKSLRAEQTDAAVKNWMTQ ; SIVMAC239 GAG-31 ; H-PHE-TYR-LYS-SER-LEU-ARG-ALA-GLU-GLN-THR-ASP-ALA-ALA-VAL-LYS-ASN-TRP-MET-THR-GLN-OH |
| pro_mdlNumber： | MFCD03790628 |
| pro_acceptors： | 61 |
| pro_donors： | 36 |
| pro_smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](Cc4ccccc4)N |
| InChi： | InChI=1S/C106H162N28O33S/c1-51(2)43-72(127-101(162)77(50-135)131-92(153)65(25-16-18-39-107)120-98(159)73(45-59-28-30-61(138)31-29-59)126-89(150)63(109)44-58-21-12-11-13-22-58)97(158)121-67(27-20-41-114-106(112)113)90(151)117-54(6)87(148)119-69(33-36-80(141)142)93(154)122-68(32-35-78(110)139)94(155)133-85(57(9)137)104(165)130-76(48-82(145)146)96(157)118-53(5)86(147)116-55(7)88(149)132-83(52(3)4)102(163)124-66(26-17-19-40-108)91(152)129-75(47-79(111)140)100(161)128-74(46-60-49-115-64-24-15-14-23-62(60)64)99(160)123-70(38-42-168-10)95(156)134-84(56(8)136)103(164)125-71(105(166)167)34-37-81(143)144/h11-15,21-24,28-31,49,51-57,63,65-77,83-85,115,135-138H,16-20,25-27,32-48,50,107-109H2,1-10H3,(H2,110,139)(H2,111,140)(H,116,147)(H,117,151)(H,118,157)(H,119,148)(H,120,159)(H,121,158)(H,122,154)(H,123,160)(H,124,163)(H,125,164)(H,126,150)(H,127,162)(H,128,161)(H,129,152)(H,130,165)(H,131,153)(H,132,149)(H,133,155)(H,134,156)(H,141,142)(H,143,144)(H,145,146)(H,166,167)(H4,112,113,114)/t53-,54-,55-,56+,57+,63-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-,84-,85-/m0/s1 |
| InChiKey： | InChIKey=GNJSFPQKFXFCCM-IFBFWHCKSA-N |
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