Name: (S,R,S)-AHPC-propargyl
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212080567
Cas No:2098799-78-9
常用名:(S,R,S)-AHPC-propargyl
别名:VHL ligand 7, VH032-propargyl
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-[2-(prop-2-yn-1-yloxy)acetamido]butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-3,3-dimethyl-2-[2-(prop-2-yn-1-yloxy)acetamido]butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:UGJHKPQUMUDIQJ-ZFGGDYGUSA-N

分子式:C27H34N4O5S
分子量:526.65
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:2.673
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCC#C)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCC#C)C(C)(C)C)cc1

(S,R,S)-AHPC-propargyl, a VHL ligand, is utilized in click reactions for PROTACs.

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