Basic information
- CAS
89270-97-3- Standard SMILES
NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
OXYQAMZONIKUFB-SXYSDOLCSA-N- Molecular formula
- C29H42N8O10
- Average molar mass
- 662.7 g/mol
- Monoisotopic mass
- 662.30238957
Overview
pentapeptide postulated to be basic repetitive unit of alpha-gliadin
Names & identifiers
- Preferred name
- H-Tyrosyl-glutaminyl-glutaminyl-glutaminyl-hydroxyproline
- IUPAC
- (2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
- English name
- H-tyrosyl-glutaminyl-glutaminyl-glutaminyl-hydroxyproline
- Molecular formula
- C29H42N8O10
- Molecular weight
- 662.69
Names & synonyms
H-Tyr-(gln)3-pro-OHH-Tyrosyl-glutaminyl-glutaminyl-glutaminyl-hydroxyproline89270-97-3DTXSID90237601L-Proline, 1-(N2-(N2-(N2-L-tyrosyl-L-glutaminyl)-L-glutaminyl)-L-glutaminyl)-RefChem:144963DTXCID00160092L-Tyrosyl-L-glutaminyl-L-glutaminyl-L-glutaminyl-L-prolineL-Proline, 1-[N2-[N2-(N2-L-tyrosyl-L-glutaminyl)-L-glutaminyl]-L-glutaminyl]- (9CI)
Database identifiers
- CAS
89270-97-3- PubChem CID
- 146014
- DTXSID
DTXSID90237601
Properties
Computed structural properties
- XLogP
- -7.6
- Topological polar surface area
- 320 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 19
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,180
Physicochemical properties
- Boiling point
- 1298.6 · 1298.6±65.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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