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Chemical structure of Fmoc-β-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)-Ala-OH

GA21855

Fmoc-β-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)-Ala-OH

Also known as (2S)-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

A derivative of 3-Hydroxymethyl-L-tyrosine, a homolog of DOPA· Both side-chain functionalities are protected simultaneously by acetonide formation, which is reverted during TFA cleavage· 1,3-Diols readily form acetals allowing selective peptide modification

ChemicalCAS252049-13-1MW473.53FormulaC28H27NO6
CAS number
252049-13-1
Molecular weight
473.53
Formula
C28H27NO6
Solubility
Soluble in DMSO
InChIKey
DVEGPXAHQDWTBY-DEOSSOPVSA-N
Catalogue number
GA21855
Brand
GLPBIO
Computed properties PubChem CID 74789507 · XLogP 4.8 · TPSA 94.1 Ų · H-bond donors 2
XLogP
4.8
TPSA
94.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35

SMILES CC1(OCC2=C(O1)C=CC(=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C

Computed descriptors from PubChem (CID 74789507), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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