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Chemical structure of Fmoc-Val-Ala-PAB-PNP

GC66110

Fmoc-Val-Ala-PAB-PNP

Also known as [4-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

Fmoc-Val-Ala-PAB-PNP is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS1394238-92-6MW680.7FormulaC37H36N4O9
CAS number
1394238-92-6
Molecular weight
680.7
Formula
C37H36N4O9
InChIKey
ZJHZWBDLYYJQAV-WYOOIXGGSA-N
Catalogue number
GC66110
Brand
GLPBIO
Computed properties PubChem CID 100029276 · XLogP 6.6 · TPSA 178 Ų · H-bond donors 3
XLogP
6.6
TPSA
178 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
50

SMILES C[C@@H](C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Computed descriptors from PubChem (CID 100029276), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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