basic_info |
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| Product_Name： | H-VAL-GLN-GLU-SER-ALA-ASP-GLY-TYR-ARG-MET-GLN-HIS-PHE-ARG-TRP-GLY-GLN-PRO-LEU-PRO-NH2 TRIFLUOROACETATE SALT |
| EnglishSynonyms： | H-VAL-GLN-GLU-SER-ALA-ASP-GLY-TYR-ARG-MET-GLN-HIS-PHE-ARG-TRP-GLY-GLN-PRO-LEU-PRO-NH2 TRIFLUOROACETATE SALT ; MSH-B TRIFLUOROACETATE SALT |
| pro_mdlNumber： | MFCD18782202 |
| pro_acceptors： | 62 |
| pro_donors： | 34 |
| pro_smile： | CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](Cc6c[nH]cn6)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc7ccc(cc7)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)N.C(=O)(C(F)(F)F)O |
| InChi： | InChI=1S/C107H157N33O29S.C2HF3O2/c1-54(2)42-76(105(169)139-39-14-22-78(139)88(112)152)137-102(166)79-23-15-40-140(79)104(168)70(30-34-82(110)145)125-83(146)50-121-90(154)73(45-59-48-120-63-19-11-10-18-62(59)63)135-93(157)65(21-13-38-119-107(115)116)128-99(163)72(43-57-16-8-7-9-17-57)134-100(164)74(46-60-49-117-53-123-60)136-95(159)66(28-32-80(108)143)129-97(161)69(36-41-170-6)131-92(156)64(20-12-37-118-106(113)114)127-98(162)71(44-58-24-26-61(142)27-25-58)126-84(147)51-122-91(155)75(47-86(150)151)133-89(153)56(5)124-101(165)77(52-141)138-96(160)68(31-35-85(148)149)130-94(158)67(29-33-81(109)144)132-103(167)87(111)55(3)4;3-2(4,5)1(6)7/h7-11,16-19,24-27,48-49,53-56,64-79,87,120,141-142H,12-15,20-23,28-47,50-52,111H2,1-6H3,(H2,108,143)(H2,109,144)(H2,110,145)(H2,112,152)(H,117,123)(H,121,154)(H,122,155)(H,124,165)(H,125,146)(H,126,147)(H,127,162)(H,128,163)(H,129,161)(H,130,158)(H,131,156)(H,132,167)(H,133,153)(H,134,164)(H,135,157)(H,136,159)(H,137,166)(H,138,160)(H,148,149)(H,150,151)(H4,113,114,118)(H4,115,116,119);(H,6,7)/t56-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,87-;/m0./s1 |
| InChiKey： | InChIKey=JSBJGFRPMVSVCO-NAHXUNJDSA-N |
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