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Chemical structure of Fmoc-4-sulfomethyl-Phe(Tce)-OH

GA21494

Fmoc-4-sulfomethyl-Phe(Tce)-OH

Also known as 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(2,2,2-trichloroethoxysulfonylmethyl)phenyl]propanoic acid

Derivative of a stable sulfotyrosine mimic suitable for Fmoc-SPPS· The lateral trichloroethyl (Tce) group is cleaved by hydrogenolysis (H?/Pd in the presence of ammonium formate)

ChemicalCAS1146758-11-3MW612.91FormulaC27H24Cl3NO7S
CAS number
1146758-11-3
Molecular weight
612.91
Formula
C27H24Cl3NO7S
Solubility
Soluble in DMSO
InChIKey
QXNUQPLTPOHMHT-UHFFFAOYSA-N
Catalogue number
GA21494
Brand
GLPBIO
Computed properties PubChem CID 74832981 · XLogP 5.7 · TPSA 127 Ų · H-bond donors 2
XLogP
5.7
TPSA
127 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
39

SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)CS(=O)(=O)OCC(Cl)(Cl)Cl)C(=O)O

Computed descriptors from PubChem (CID 74832981), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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