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Chemical structure of 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid

GA20392

3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid

Also known as 3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoic acid

S-protected derivative for the introduction of a deamino-penicillamine residue· Building block for the preparation of oxytocin and vasopressin antagonists· Peptide thioesters for chemical ligation may be obtained by Fmoc-SPPS using a deaminopenicillamine-derived linker, as premature cleavage during Fmoc removal is inhibited by steric hindrance· Tegge et al· developed a deaminopenicillamine-based disulfide linker for the Fmoc-SPPS of cyclic Cys-containing peptides

ChemicalCAS268219-99-4MW254.35FormulaC13H18O3S
CAS number
268219-99-4
Molecular weight
254.35
Formula
C13H18O3S
Solubility
Soluble in DMSO
InChIKey
VLSLXZFZXHZCHI-UHFFFAOYSA-N
Catalogue number
GA20392
Brand
GLPBIO
Computed properties PubChem CID 7019755 · XLogP 2.5 · TPSA 71.8 Ų · H-bond donors 1
XLogP
2.5
TPSA
71.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
17

SMILES CC(C)(CC(=O)O)SCC1=CC=C(C=C1)OC

Computed descriptors from PubChem (CID 7019755), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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