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Chemical structure of Mal-PEG4-Val-Cit-PAB-OH

GC67510

Mal-PEG4-Val-Cit-PAB-OH

Also known as (2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-N-[4-(hydroxymethyl)phenyl]pentanamide

Mal-PEG4-Val-Cit-PAB-OH is a cleavable 4 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS2055041-39-7MW706.78FormulaC33H50N6O11
CAS number
2055041-39-7
Molecular weight
706.78
Formula
C33H50N6O11
InChIKey
RFGYJIMAJDHMSQ-YZNIXAGQSA-N
Catalogue number
GC67510
Brand
GLPBIO
Computed properties PubChem CID 119058241 · XLogP -1.6 · TPSA 237 Ų · H-bond donors 6
XLogP
-1.6
TPSA
237 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
26
Heavy atoms
50

SMILES CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCN2C(=O)C=CC2=O

Computed descriptors from PubChem (CID 119058241), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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