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

GC66690

Boc-Val-Ala-PAB-PNP

Also known as [4-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

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

ChemicalCAS1884578-00-0MW558.58FormulaC27H34N4O9
CAS number
1884578-00-0
Molecular weight
558.58
Formula
C27H34N4O9
InChIKey
PGJUTVVCCBCEIY-JTSKRJEESA-N
Catalogue number
GC66690
Brand
GLPBIO
Computed properties PubChem CID 100029284 · XLogP 4.4 · TPSA 178 Ų · H-bond donors 3
XLogP
4.4
TPSA
178 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
40

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)OC(C)(C)C

Computed descriptors from PubChem (CID 100029284), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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