Name: Methyltetrazine-PEG4-SS-NHS ester
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HIT ID:HIT212668019
Cas No:
常用名:Methyltetrazine-PEG4-SS-NHS ester
常用名:Methyltetrazine-PEG4-SS-NHS ester
IUPAC:2,5-dioxopyrrolidin-1-yl 3-[(2-{[14-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)-3,6,9,12-tetraoxatetradecan-1-yl]carbamoyl}ethyl)disulfanyl]propanoate
IUPAC:2,5-dioxopyrrolidin-1-yl 3-[(2-{[14-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)-3,6,9,12-tetraoxatetradecan-1-yl]carbamoyl}ethyl)disulfanyl]propanoate
InChI key:HNIIHXOGXSROBB-UHFFFAOYSA-N

分子式:C31H43N7O10S2
分子量:737.84
氢键供体数 (HBD):2
氢键受体数 (HBA):13
LogP:-0.89065516
SMILES:Cc1nnc(nn1)-c1ccc(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCSSCCC(=O)ON2C(=O)CCC2=O)cc1
SMILES:Cc1nnc(nn1)-c1ccc(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCSSCCC(=O)ON2C(=O)CCC2=O)cc1

Methyltetrazine-PEG4-SS-NHS ester is a cleavable, four-unit polyethylene glycol (PEG) linker commonly employed in the synthesis of antibody-drug conjugates (ADCs)[1].

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