Basic information
- CAS
1602-41-1- Standard SMILES
NC(=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O- InChIKey
OLIFDVJRECUYJH-QMMMGPOBSA-N- Molecular formula
- C11H12N4O7
- Average molar mass
- 312.24 g/mol
- Monoisotopic mass
- 312.07059873
Overview
Dnp-Gln is a L-glutamine derivative that is L-glutamine substituted on the alpha-nitrogen by a 2,4-dinitrophenyl group. It has a role as an epitope. It is a L-glutamine derivative, a C-nitro compound and a dicarboxylic acid monoamide. It contains a 2,4-dinitrophenyl group.
Names & identifiers
- Preferred name
- N2-(2,4-Dinitrophenyl)-L-glutamine
- IUPAC
- (2S)-5-amino-2-(2,4-dinitroanilino)-5-oxopentanoic acid
Names & synonyms
1602-41-1N2-(2,4-Dinitrophenyl)-L-glutamineDnp-GlnDNP-GluCHEBI:72487EINECS 216-496-9NSC 89620N(2)-(2,4-dinitrophenyl)-L-glutamineRefChem:164333216-496-9L-Glutamine, N2-(2,4-dinitrophenyl)-(2S)-5-amino-2-(2,4-dinitroanilino)-5-oxopentanoic acid
Show more names
(S)-5-Amino-2-((2,4-dinitrophenyl)amino)-5-oxopentanoic acid(2S)-4-carbamoyl-2-[(2,4-dinitrophenyl)amino]butanoic acidEpitope ID:180860SCHEMBL27974307(2,4-Dinitrophenyl)-L-glutamineOLIFDVJRECUYJH-QMMMGPOBSA-NDTXSID901298243AKOS022181458
Database identifiers
- CAS
1602-41-1- PubChem CID
- 96809
- DTXSID
DTXSID901298243- ChEBI
CHEBI:72487- EC Number
- 216-496-9
- Nikkaji
- J195.215C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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