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

GC38780

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

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

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

ChemicalCAS1116086-09-9MW1028.15FormulaC63H57N5O9
CAS number
1116086-09-9
Molecular weight
1028.15
Formula
C63H57N5O9
Solubility
Soluble in DMSO
InChIKey
BACWIDRMGLDCKA-YQOHNZFASA-N
Catalogue number
GC38780
Brand
GLPBIO
Computed properties PubChem CID 135393462 · XLogP 12.1 · TPSA 190 Ų · H-bond donors 4
XLogP
12.1
TPSA
190 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
24
Heavy atoms
77

SMILES C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)COC(=O)OC6=CC=C(C=C6)[N+](=O)[O-])NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79

Computed descriptors from PubChem (CID 135393462), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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