Name: PC-Biotin-PEG4-PEG3-azide
Rating: 5 (10 reviews)

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HIT ID:HIT212668174
Cas No:2055198-04-2
常用名:PC-Biotin-PEG4-PEG3-azide
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 N-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamate
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 N-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamate
InChI key:APXHNGAQDHMBFB-OITTVKJVSA-N

分子式:C39H63N9O14S
分子量:914.04
氢键供体数 (HBD):5
氢键受体数 (HBA):15
LogP:0.31423897
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCc3ccc(c(c3)C(C)OC(=O)NCCOCCOCCOCCN=[N+]=[N-])[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)NCCOCCOCCOCCN=[N+]=[N-])[N+]([O-])=O)[C@@]1([H])NC(=O)N2

PC-Biotin-PEG4-PEG3-azide is a cleavable 7-unit polyethylene glycol (PEG) antibody-drug conjugate (ADC) linker employed for the synthesis of ADCs [1].

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