Name: Biotin-PEG12-Mal
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667416
Cas No:
常用名:Biotin-PEG12-Mal
IUPAC:5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{38-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontan-1-yl}pentanamide
IUPAC:5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{38-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontan-1-yl}pentanamide
InChI key:WAOKCINZZZEVIC-LIGBGABDSA-N

分子式:C43H75N5O17S
分子量:966.15
氢键供体数 (HBD):4
氢键受体数 (HBA):17
LogP:-2.2795713
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)[C@@]1([H])NC(=O)N2 |c:58|
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)[C@@]1([H])NC(=O)N2 |c:58|

Biotin-PEG12-Mal is a PEG-based linker for PROTACs which joins two essential ligands, crucial for forming PROTAC molecules. This linker enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.

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