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Chemical structure of α-Synuclein (45-54) (human)

GA23997

α-Synuclein (45-54) (human)

Also known as (4S)-5-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

Aggregation of α-synuclein (α-syn) into toxic fibrils is a pathogenic hallmark of Parkinson's disease (PD)· Most early onset mutations are located between residues 46-53· The sequence of α-synuclein (45-54) was used by Cheruvara and coworkers as a template for a peptide library· The authors isolated a 10-residue peptide antagonist that potently inhibits α-synuclein aggregation and associated toxicity at 1:1 stoichiometry

ChemicalCAS2243206-98-4MW996.12FormulaC43H73N13O14
CAS number
2243206-98-4
Molecular weight
996.12
Formula
C43H73N13O14
Solubility
Soluble in DMSO
InChIKey
AFLCUVMBGFCYAA-MXGWNDODSA-N
Catalogue number
GA23997
Brand
GLPBIO
Computed properties PubChem CID 169450553 · XLogP -7.1 · TPSA 437 Ų · H-bond donors 15
XLogP
-7.1
TPSA
437 Ų
H-bond donors
15
H-bond acceptors
17
Rotatable bonds
32
Heavy atoms
70

SMILES C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N)O

Computed descriptors from PubChem (CID 169450553), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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