Name: PC-Biotin-PEG4-NHS carbonate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212668173
Cas No:2055198-03-1
常用名:PC-Biotin-PEG4-NHS carbonate
IUPAC:1-{5-[(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12-tetraoxapentadecan-15-amido)methyl]-2-nitrophenyl}ethyl 2,5-dioxopyrrolidin-1-yl carbonate
IUPAC:1-{5-[(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12-tetraoxapentadecan-15-amido)methyl]-2-nitrophenyl}ethyl 2,5-dioxopyrrolidin-1-yl carbonate
InChI key:APFWBUQXFFFWPE-WMEVZKCTSA-N

分子式:C35H50N6O14S
分子量:810.87
氢键供体数 (HBD):4
氢键受体数 (HBA):13
LogP:0.27777502
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCc3ccc(c(c3)C(C)OC(=O)ON3C(=O)CCC3=O)[N+]([O-])=O)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCc3ccc(c(c3)C(C)OC(=O)ON3C(=O)CCC3=O)[N+]([O-])=O)[C@@]1([H])NC(=O)N2

PC-Biotin-PEG4-NHS carbonate is a polyethylene glycol (PEG) derived linker employed for the synthesis of proteolysis-targeting chimeras (PROTACs)[1].

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