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Chemical structure of IALYLQQNW

GC74337

IALYLQQNW

Also known as (2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

IALYLQQNW is a specific nonapeptide sequence derived from the tumor-associated antigen latent membrane protein 1 (LMP1) encoded by Epstein-Barr virus (EBV)

ChemicalCAS610268-80-9MW1148.31FormulaC55H81N13O14
CAS number
610268-80-9
Molecular weight
1148.31
Formula
C55H81N13O14
Solubility
DMSO : 3·33 mg/mL (2·90 mM; Need ultrasonic)
InChIKey
AJGRAIOAMJTVQZ-CVJSAKJISA-N
Catalogue number
GC74337
Brand
GLPBIO
Computed properties PubChem CID 172653514 · XLogP -2.8 · TPSA 461 Ų · H-bond donors 15
XLogP
-2.8
TPSA
461 Ų
H-bond donors
15
H-bond acceptors
15
Rotatable bonds
35
Heavy atoms
82

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)N

Computed descriptors from PubChem (CID 172653514), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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