Name: N-Mal-N-bis(PEG4-NHS ester)
Rating: 5 (10 reviews)

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HIT ID:HIT212669099
Cas No:2112738-60-8
常用名:N-Mal-N-bis(PEG4-NHS ester)
IUPAC:2,5-dioxopyrrolidin-1-yl 1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-{15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}propanamido]-3,6,9,12-tetraoxapentadecan-15-oate
IUPAC:2,5-dioxopyrrolidin-1-yl 1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-{15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}propanamido]-3,6,9,12-tetraoxapentadecan-15-oate
InChI key:OMOYDOIENLEOQM-UHFFFAOYSA-N

分子式:C37H54N4O19
分子量:858.848
氢键供体数 (HBD):0
氢键受体数 (HBA):17
LogP:-3.2634625
SMILES:O=C(CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)C(=O)CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O |c:49|
SMILES:O=C(CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)C(=O)CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O |c:49|

N-Mal-N-bis(PEG4-NHS ester) is a polyethylene glycol (PEG)-based bifunctional linker utilized for synthesizing Proteolysis Targeting Chimeras (PROTACs)[1].

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