Name: N-(DBCO-PEG4)-N-Biotin-PEG4-NHS
Rating: 5 (10 reviews)

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HIT ID:HIT212668075
Cas No:2353409-72-8
常用名:N-(DBCO-PEG4)-N-Biotin-PEG4-NHS
IUPAC:2,5-dioxopyrrolidin-1-yl 1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[14-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)-3,6,9,12-tetraoxatetradecan-1-yl]pentanamido}-3,6,9,12-tetraoxapentadecan-15-oate
IUPAC:2,5-dioxopyrrolidin-1-yl 1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[14-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)-3,6,9,12-tetraoxatetradecan-1-yl]pentanamido}-3,6,9,12-tetraoxapentadecan-15-oate
InChI key:WGXIBGJQQHWGKY-XVESOEPISA-N

分子式:C54H74N6O16S
分子量:1095.27
氢键供体数 (HBD):3
氢键受体数 (HBA):15
LogP:0.6860007
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)N(CCOCCOCCOCCOCCNC(=O)CCC(=O)N3Cc4ccccc4C#Cc4ccccc34)CCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)N(CCOCCOCCOCCOCCNC(=O)CCC(=O)N3Cc4ccccc4C#Cc4ccccc34)CCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)[C@@]1([H])NC(=O)N2

N-(DBCO-PEG4)-N-Biotin-PEG4-NHS is a PEG-based PROTAC linker suitable for synthesizing PROTACs[1].

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