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Chemical structure of (Fmoc-Cys-OtBu)₂

GA20179

(Fmoc-Cys-OtBu)₂

Also known as tert-butyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]disulfanyl]propanoate

Cystine precursor of Fmoc-Cys-OtBu which has been used in the synthesis of orthogonally protected lanthionines· Barany et al· employed Fmoc-Cys-OtBu in developing a side-chain anchoring strategy for the SPPS of peptide acids with C-terminal cysteine

ChemicalCAS139592-37-3MW797.01FormulaC44H48N2O8S2
CAS number
139592-37-3
Molecular weight
797.01
Formula
C44H48N2O8S2
Solubility
Soluble in DMSO
InChIKey
IQCNHOFZFYLKLF-UWXQCODUSA-N
Catalogue number
GA20179
Brand
GLPBIO
Computed properties PubChem CID 75487680 · XLogP 8.5 · TPSA 180 Ų · H-bond donors 2
XLogP
8.5
TPSA
180 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
19
Heavy atoms
56

SMILES CC(C)(C)OC(=O)[C@H](CSSC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Computed descriptors from PubChem (CID 75487680), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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