Basic information
- Standard SMILES
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O- InChIKey
CNPNWGHRMBQHBZ-ZKWXMUAHSA-N- Molecular formula
- C11H21N3O4
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.15320616
Overview
Ile-Gln is a dipeptide formed from L-isoleucine and L-glutamine residues. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Ile-Gln
- IUPAC
- (2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoic acid
Names & synonyms
Ile-GlnL-isoleucyl-L-glutamineIsoleucyl-GlutamineL-Ile-L-GlnCHEBI:74065(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoic acidIQ dipeptideI-Q DipeptideIsoleucine Glutamine dipeptideIsoleucine-Glutamine dipeptide(2S)-5-amino-2-(((2S,3S)-2-amino-3-methylpentanoyl)amino)-5-oxopentanoic acid(2S)-5-amino-2-(((2S,3S)-2-azaniumyl-3-methylpentanoyl)amino)-5-oxopentanoate
Show more names
(2S)-5-amino-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-5-oxopentanoate2-((2-Amino-1-hydroxy-3-methylpentylidene)amino)-4-(C-hydroxycarbonimidoyl)butanoate2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoateRefChem:147795CNPNWGHRMBQHBZ-UHFFFAOYSA-NH-Ile-Gln-OH59652-60-7CHEMBL55660
Database identifiers
- PubChem CID
- 7020102
- DTXSID
DTXSID301372663- ChEMBL
CHEMBL55660- ChEBI
CHEBI:74065
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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