Name: NHS-PEG4-(m-PEG4)3-ester
Rating: 5 (10 reviews)

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HIT ID:HIT212669137
Cas No:1333154-70-3
常用名:NHS-PEG4-(m-PEG4)3-ester
IUPAC:2,5-dioxopyrrolidin-1-yl 4-[(14-{[1,3-bis({2-[(2,5,8,11-tetraoxatridecan-13-yl)carbamoyl]ethoxy})-2-({2-[(2,5,8,11-tetraoxatridecan-13-yl)carbamoyl]ethoxy}methyl)propan-2-yl]carbamoyl}-3,6,9,12-tetraoxatetradecan-1-yl)carbamoyl]butanoate
IUPAC:2,5-dioxopyrrolidin-1-yl 4-[(14-{[1,3-bis({2-[(2,5,8,11-tetraoxatridecan-13-yl)carbamoyl]ethoxy})-2-({2-[(2,5,8,11-tetraoxatridecan-13-yl)carbamoyl]ethoxy}methyl)propan-2-yl]carbamoyl}-3,6,9,12-tetraoxatetradecan-1-yl)carbamoyl]butanoate
InChI key:CPFQBAXMDMJPOZ-UHFFFAOYSA-N

分子式:C60H110N6O28
分子量:1363.554
氢键供体数 (HBD):5
氢键受体数 (HBA):28
LogP:-8.53
SMILES:COCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O
SMILES:COCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O

NHS-PEG4-(m-PEG4)3-ester is a PEG-based PROTAC linker utilized for synthesizing PROTACs[1].

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