Name: Amino-bis-PEG3-TCO
Rating: 5 (10 reviews)

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HIT ID:HIT212667299
Cas No:
常用名:Amino-bis-PEG3-TCO
IUPAC:(1S,4E)-cyclooct-4-en-1-yl N-(2-{2-[2-(2-{3-[2-amino-3-(2-{[2-(2-{2-[2-({[(1S,4E)-cyclooct-4-en-1-yloxy]carbonyl}amino)ethoxy]ethoxy}ethoxy)ethyl]carbamoyl}ethoxy)propoxy]propanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamate
IUPAC:(1S,4E)-cyclooct-4-en-1-yl N-(2-{2-[2-(2-{3-[2-amino-3-(2-{[2-(2-{2-[2-({[(1S,4E)-cyclooct-4-en-1-yloxy]carbonyl}amino)ethoxy]ethoxy}ethoxy)ethyl]carbamoyl}ethoxy)propoxy]propanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamate
InChI key:BXRHEONPMDBUBU-WXOXQJPBSA-N

分子式:C43H77N5O14
分子量:888.11
氢键供体数 (HBD):5
氢键受体数 (HBA):13
LogP:1.2572434
SMILES:NC(COCCC(=O)NCCOCCOCCOCCNC(=O)O[C@H]1CCC\C=C\CC1)COCCC(=O)NCCOCCOCCOCCNC(=O)O[C@H]1CCC\C=C\CC1 |t:28,59|
SMILES:NC(COCCC(=O)NCCOCCOCCOCCNC(=O)O[C@H]1CCC\C=C\CC1)COCCC(=O)NCCOCCOCCOCCNC(=O)O[C@H]1CCC\C=C\CC1 |t:28,59|

Amino-bis-PEG3-TCO is a three-unit cleavable polyethylene glycol (PEG) linker employed for the synthesis of antibody-drug conjugates (ADCs)[1].

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