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Chemical structure of Myelin Basic Protein (83-99) (bovine)

GA23205

Myelin Basic Protein (83-99) (bovine)

Also known as (2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

MBP (83-99) corresponds to the immunodominant region of myelin basic protein restricted by HLA-DR2, the HLA class II haplotype with the strongest association to multiple sclerosis (MS)· T cell responses against this part of the MBP molecule represent a potential therapeutic target in MS

ChemicalCAS178823-45-5MW1995.31FormulaC93H143N25O24
CAS number
178823-45-5
Molecular weight
1995.31
Formula
C93H143N25O24
Solubility
Soluble in DMSO
InChIKey
NHBKOGASLFQQHS-NIURNJHWSA-N
Catalogue number
GA23205
Brand
GLPBIO
Computed properties PubChem CID 118855737 · XLogP -7.1 · TPSA 783 Ų · H-bond donors 25
XLogP
-7.1
TPSA
783 Ų
H-bond donors
25
H-bond acceptors
28
Rotatable bonds
59
Heavy atoms
142

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)N

Computed descriptors from PubChem (CID 118855737), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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