Name: (S,R,S)-AHPC-O-Ph-PEG1-NH-Boc
Rating: 5 (10 reviews)

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HIT ID:HIT212668307
Cas No:2409007-40-3
常用名:(S,R,S)-AHPC-O-Ph-PEG1-NH-Boc
别名:VH032-O-Ph-PEG1-NH-Boc
IUPAC:tert-butyl N-{2-[4-({[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}methoxy)phenoxy]ethyl}carbamate
IUPAC:tert-butyl N-{2-[4-({[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}methoxy)phenoxy]ethyl}carbamate
InChI key:XBSRXFHNSDMYAG-CZMLNRTDSA-N

分子式:C37H49N5O8S
分子量:723.89
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:2.7237272
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COc2ccc(OCCNC(=O)OC(C)(C)C)cc2)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COc2ccc(OCCNC(=O)OC(C)(C)C)cc2)C(C)(C)C)cc1

(S,R,S)-AHPC-O-Ph-PEG1-NH-Boc (VH032-O-Ph-PEG1-NH-Boc) is an E3 ligase ligand-linker conjugate, specifically designed for targeting the EED protein in PROTAC applications[1].

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