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Chemical structure of Insulin β Chain Peptide (15-23)

GC69284

Insulin β Chain Peptide (15-23)

Also known as (4S)-4-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-5-[[(2S)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Insulin β Chain Peptide (15-23), also known as INS, is a pancreatic insulin-derived peptide recognized by islet-associated T cells· Insulin β Chain Peptide (15-23) tetramer stained INS-reactive CTL clone G9C8, but this tetramer did not stain NOD or 8·3-TCRαβ transgenic NOD mouse spleen CD8+ T cells compared to the negative control tetramer (TUM)

ChemicalCAS247044-67-3MW1009.18FormulaC44H72N12O13S
CAS number
247044-67-3
Molecular weight
1009.18
Formula
C44H72N12O13S
InChIKey
CPSZWYPVFBXING-PVKJLKLCSA-N
Catalogue number
GC69284
Brand
GLPBIO
Computed properties PubChem CID 91808033 · XLogP -2.8 · TPSA 419 Ų · H-bond donors 15
XLogP
-2.8
TPSA
419 Ų
H-bond donors
15
H-bond acceptors
16
Rotatable bonds
32
Heavy atoms
70

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)N

Computed descriptors from PubChem (CID 91808033), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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