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

GC62076

Mal-PEG4-Val-Cit-PAB-PNP

Also known as [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

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

ChemicalCAS2112738-09-5MW871.89FormulaC40H53N7O15
CAS number
2112738-09-5
Molecular weight
871.89
Formula
C40H53N7O15
Solubility
DMSO ： 100 mg/mL (114·69 mM)
InChIKey
ZEPYLTPLLQQBNX-IKYOIFQTSA-N
Catalogue number
GC62076
Brand
GLPBIO
Computed properties PubChem CID 129009586 · XLogP 0.7 · TPSA 298 Ų · H-bond donors 5
XLogP
0.7
TPSA
298 Ų
H-bond donors
5
H-bond acceptors
15
Rotatable bonds
30
Heavy atoms
62

SMILES CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCOCCOCCOCCOCCN3C(=O)C=CC3=O

Computed descriptors from PubChem (CID 129009586), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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