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Chemical structure of Amyloid β Peptide (42-1)(human)

GC35334

Amyloid β Peptide (42-1)(human)

Also known as (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]butanedioic acid

Amyloid β Peptide (42-1)(human) is the inactive form of Amyloid β Peptide (1-42)

ChemicalCAS317366-82-8MW4514.04FormulaC203H311N55O60S
CAS number
317366-82-8
Molecular weight
4514.04
Formula
C203H311N55O60S
Solubility
Water: 0·5 mg/mL (0·11 mM)
InChIKey
QBEAMNLSDYIUGM-TYMWQTOHSA-N
Catalogue number
GC35334
Brand
GLPBIO
Computed properties PubChem CID 71581486 · 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 CCC(C)[C@@H](C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CC3=CNC=N3)C(=O)N[C@H](CC4=CNC=N4)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC5=CC=C(C=C5)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC6=CNC=N6)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC7=CC=CC=C7)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)CC)NC(=O)[C@H](C)N

Computed descriptors from PubChem (CID 71581486), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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