Name: PKCβII Peptide Inhibitor I
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851583
Cas No:862502-26-9
常用名:PKCβII Peptide Inhibitor I
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-3-carboxy-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-{[(2S)-1-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-3-hydroxy-2-tetradecanamidopropanamido]-4-methylpentanamido]propanoyl]pyrrolidin-2-yl]formamido}butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-3-carboxy-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-{[(2S)-1-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-3-hydroxy-2-tetradecanamidopropanamido]-4-methylpentanamido]propanoyl]pyrrolidin-2-yl]formamido}butanoic acid
InChI key:OKUQMCXJMPGMCR-XJSCEPEXSA-N

分子式:C61H94N12O19
分子量:1299.488
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
SMILES:CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

PKCβII Peptide Inhibitor I 为一种特定的PKCβII抑制剂。在大鼠心脏缺血/再灌注损伤模型中，该化合物显著表现出心脏保护效应，并能有效预防血管内皮功能障碍。

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