Name: NHS-PEG4-(m-PEG12)3-ester
Rating: 5 (10 reviews)

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HIT ID:HIT212080687
Cas No:1334178-03-8
常用名:NHS-PEG4-(m-PEG12)3-ester
IUPAC:2,5-dioxopyrrolidin-1-yl 4-[(14-{[1,3-bis({2-[(2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-yl)carbamoyl]ethoxy})-2-({2-[(2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-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-[(2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-yl)carbamoyl]ethoxy})-2-({2-[(2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-yl)carbamoyl]ethoxy}methyl)propan-2-yl]carbamoyl}-3,6,9,12-tetraoxatetradecan-1-yl)carbamoyl]butanoate
InChI key:VOPFWBJWEJMWRQ-UHFFFAOYSA-N

分子式:C108H206N6O52
分子量:2420.826
氢键供体数 (HBD):5
氢键受体数 (HBA):51
LogP:-6.6770887
SMILES:COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O
SMILES:COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O

NHS-PEG4-(m-PEG12)3-ester is a polyethylene glycol (PEG) based linker for PROTAC synthesis [1].

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