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Chemical structure of AChRα(97-116)

GC74410

AChRα(97-116)

Also known as (2S,3S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-carboxypropanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid

AChRα(97-116), a peptide, can be used to induce experimental autoimmune myasthenia gravis (EAMG)

ChemicalCAS663154-30-1MW2252.56FormulaC106H162N24O30
CAS number
663154-30-1
Molecular weight
2252.56
Formula
C106H162N24O30
Solubility
DMSO ： 28·57 mg/mL (12·68 mM; ultrasonic and adjust pH to 2 with 1 M HCL)
InChIKey
UOCBSVMQACMEEE-ULEIWIRTSA-N
Catalogue number
GC74410
Brand
GLPBIO
Computed properties PubChem CID 169450635 · XLogP -6.1 · TPSA 870 Ų · H-bond donors 30
XLogP
-6.1
TPSA
870 Ų
H-bond donors
30
H-bond acceptors
34
Rotatable bonds
73
Heavy atoms
160

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)N

Computed descriptors from PubChem (CID 169450635), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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