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Chemical structure of ent-Amyloid β-Protein (1-42)

GA21424

ent-Amyloid β-Protein (1-42)

Also known as (4R)-5-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-6-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[2-[[(2R)-1-[[(2R)-4-amino-1-[[(2R)-6-amino-1-[[2-[[(2R)-1-[[(2R,3R)-1-[[(2R,3R)-1-[[2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[2-[[2-[[(2R)-1-[[(2R)-1-[[(2R,3R)-1-[[(1R)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2R)-2-[[(2R)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

All-D Aβ (1-42) exhibits similar properites as the all-L Aβ· The peptide forms ion channels in lipid bilayers

ChemicalCAS342896-25-7MW4514.1FormulaC203H311N55O60S
CAS number
342896-25-7
Molecular weight
4514.1
Formula
C203H311N55O60S
Solubility
Soluble in DMSO
InChIKey
DZHSAHHDTRWUTF-XPCYXILVSA-N
Catalogue number
GA21424
Brand
GLPBIO
Computed properties PubChem CID 131637398 · XLogP -12.2 · TPSA 1850 Ų · H-bond donors 62
XLogP
-12.2
TPSA
1850 Ų
H-bond donors
62
H-bond acceptors
68
Rotatable bonds
151
Heavy atoms
319

SMILES CC[C@@H](C)[C@H](C(=O)N[C@H]([C@H](C)CC)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](C)C(=O)O)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](CC3=CNC=N3)NC(=O)[C@@H](CC4=CNC=N4)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC5=CC=C(C=C5)O)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC6=CNC=N6)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC7=CC=CC=C7)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(=O)O)N

Computed descriptors from PubChem (CID 131637398), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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