Name: Enlicitide chloride
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218850327
Cas No:
常用名:Enlicitide chloride
别名:MK-0616 chloride
IUPAC:[5-({[(11S,17S,20S,23S,27S,39S,42S,63S,66R)-47-fluoro-20-[(1R)-1-hydroxyethyl]-17-[(4-methoxyphenyl)methyl]-11,63-dimethyl-10,16,19,22,30,40,58,61,64,67,70-undecaoxo-28-oxa-1,9,15,18,21,24,31,41,51,62,65,68-dodecaazanonacyclo[37.18.11.2^{3,6}.1^{24,42}.1^{33,37}.1^{44,51}.0^{11,15}.0^{23,27}.0^{45,50}]triheptaconta-3,5,33,35,37(71),44(69),45,47,49,72-decaen-66-yl]methyl}carbamoyl)pentyl]trimethylazanium chloride
IUPAC:[5-({[(11S,17S,20S,23S,27S,39S,42S,63S,66R)-47-fluoro-20-[(1R)-1-hydroxyethyl]-17-[(4-methoxyphenyl)methyl]-11,63-dimethyl-10,16,19,22,30,40,58,61,64,67,70-undecaoxo-28-oxa-1,9,15,18,21,24,31,41,51,62,65,68-dodecaazanonacyclo[37.18.11.2^{3,6}.1^{24,42}.1^{33,37}.1^{44,51}.0^{11,15}.0^{23,27}.0^{45,50}]triheptaconta-3,5,33,35,37(71),44(69),45,47,49,72-decaen-66-yl]methyl}carbamoyl)pentyl]trimethylazanium chloride
InChI key:CLOLWQCFULXMAR-QQCDJELVSA-N

分子式:C82H110ClFN14O15
分子量:1586.31
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Cl-].[H][C@]12CCN3C(=O)[C@]4([H])Cc5cn(CCCCCCN(Cc6ccc(CCNC(=O)[C@]7(C)CCCN7C(=O)[C@H](Cc7ccc(OC)cc7)NC(=O)[C@@]([H])(NC(=O)[C@]13[H])[C@@H](C)O)cc6)C(=O)CCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCCCC[N+](C)(C)C)C(=O)N[C@@]([H])(Cc1cccc(CNC(=O)CO2)c1)C(=O)N4)c1ccc(F)cc51
SMILES:[Cl-].[H][C@]12CCN3C(=O)[C@]4([H])Cc5cn(CCCCCCN(Cc6ccc(CCNC(=O)[C@]7(C)CCCN7C(=O)[C@H](Cc7ccc(OC)cc7)NC(=O)[C@@]([H])(NC(=O)[C@]13[H])[C@@H](C)O)cc6)C(=O)CCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCCCC[N+](C)(C)C)C(=O)N[C@@]([H])(Cc1cccc(CNC(=O)CO2)c1)C(=O)N4)c1ccc(F)cc51

Enlicitide chloride 作为一种高效的PCSK9拮抗剂，主要应用于心血管疾病的研究领域。它涉及动脉粥样硬化、高胆固醇血症、冠心病、代谢综合征以及急性冠状动脉综合征等心脏疾病和心脏代谢疾病的研究工作。

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