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

GC32800

Fmoc-Val-Cit-PAB-PNP

Also known as [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

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

ChemicalCAS863971-53-3MW766.8FormulaC40H42N6O10
CAS number
863971-53-3
Molecular weight
766.8
Formula
C40H42N6O10
Solubility
DMSO ： ≥ 40 mg/mL (52·16 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
USMYACISHVPTHK-PXLJZGITSA-N
Catalogue number
GC32800
Brand
GLPBIO
Computed properties PubChem CID 57641184 · XLogP 5.6 · TPSA 233 Ų · H-bond donors 5
XLogP
5.6
TPSA
233 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
18
Heavy atoms
56

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)OCC3C4=CC=CC=C4C5=CC=CC=C35

Computed descriptors from PubChem (CID 57641184), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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