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Chemical structure of Fmoc-Phe-Lys(Boc)-PAB-PNP

GC32271

Fmoc-Phe-Lys(Boc)-PAB-PNP

Also known as [4-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

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

ChemicalCAS1646299-50-4MW885.96FormulaC49H51N5O11
CAS number
1646299-50-4
Molecular weight
885.96
Formula
C49H51N5O11
Solubility
DMSO ： 6 mg/mL (6·77 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
AHKVECQGASADRU-MJPWBCPGSA-N
Catalogue number
GC32271
Brand
GLPBIO
Computed properties PubChem CID 122403000 · XLogP 8.6 · TPSA 216 Ų · H-bond donors 4
XLogP
8.6
TPSA
216 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
22
Heavy atoms
65

SMILES CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Computed descriptors from PubChem (CID 122403000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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