Basic information
- Standard SMILES
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N/C1=C/c1cnc[nH]1- InChIKey
ITXQTTPWGBFRNK-GIDUJCDVSA-N- Molecular formula
- C17H15N5O2
- Average molar mass
- 321.33 g/mol
- Monoisotopic mass
- 321.12257474
Overview
Dehydrohistidyltryptophyldiketopiperazine is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Names & identifiers
- Preferred name
- Dehydrohistidyltryptophyldiketopiperazine
- IUPAC
- (3E)-3-(1H-imidazol-5-ylmethylidene)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Names & synonyms
dehydrohistidyltryptophyldiketopiperazineDehydrohistidyl-tryptophanyl-diketopiperazine(e)-3-(1h-imidazol-4-ylmethylene)-6-(1h-indol-3-ylmethyl)-2,5-piperazinedioneorb1990278DTXSID00894047CHEBI:182170AKOS040739856NS00094939C22164T130795(E)-3-(1H-Imidazol-4-ylmethylen)-6-(1H-indol-3-ylm(3E)-3-(1H-imidazol-5-ylmethylidene)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Show more names
(3E)-3-[(1H-Imidazol-5-yl)methylidene]-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione
Database identifiers
- PubChem CID
- 51136281
- DTXSID
DTXSID00894047- ChEBI
CHEBI:182170
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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