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Chemical structure of Mal-PEG2-Val-Cit-PABA-PNP

GC20161

Mal-PEG2-Val-Cit-PABA-PNP

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

Mal-PEG2-Val-Cit-PABA-PNP is a cleavable ADC linker containing two PEG units, which can be used in the synthesis of antibody-drug conjugates (ADCs) [1]

ChemicalCAS1345681-52-8MW755.73FormulaC34H41N7O13
CAS number
1345681-52-8
Molecular weight
755.73
Formula
C34H41N7O13
InChIKey
VZRMIJHOKYFMIG-WNJJXGMVSA-N
Catalogue number
GC20161
Brand
GLPBIO
Computed properties PubChem CID 142597864 · XLogP 1.6 · TPSA 280 Ų · H-bond donors 5
XLogP
1.6
TPSA
280 Ų
H-bond donors
5
H-bond acceptors
13
Rotatable bonds
22
Heavy atoms
54

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)OCCOCCN3C(=O)C=CC3=O

Computed descriptors from PubChem (CID 142597864), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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