(11S,14S)-Cyclo-(L-Trp-L-Phe)
Basic information
- CAS
6521-48-8- Standard SMILES
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccccc1- InChIKey
CUVKAUWOMPJEMI-ROUUACIJSA-N- Molecular formula
- C20H19N3O2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.14772686
Overview
(11S,14S)-Cyclo-(L-Trp-L-Phe) is a natural product found in Aspergillus sydowii. It has a role as an Aspergillus metabolite.
Names & identifiers
- Preferred name
- (11S,14S)-Cyclo-(L-Trp-L-Phe)
- IUPAC
- (3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
- English name
- Isorugulosuvine
- Molecular formula
- C20H19N3O2
- Molecular weight
- 333.38
Names & synonyms
Cyclo(-Phe-Trp)Isorugulosuvine6521-48-8(11S,14S)-Cyclo-(L-Trp-L-Phe)(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dioneCyclo(-L-Phe-L-Trp)MFCD00237619Cyclo(L-Trp-L-Phe)Cyclo-(l-Trp-l-Phe)MLS002704309CHEMBL190059SCHEMBL29701947
Show more names
c(Phe-Trp)cyclo(L-tryptophyl-L-phenylalanyl)Cyclo(L-phenylalanyl-L-tryptophanyl)(3S,6S)-3-Benzyl-6-(indol-3-ylmethyl)-2,5-piperazinedione2,5-Piperazinedione, 3-(1H-indol-3-ylmethyl)-6-(phenylmethyl)-, (3S,6S)-
CHEBI:68230DTXSID901017851HY-P5051(3S,6S)-3-benzyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dioneDA-54456SMR001571011CS-0675894C22142
Database identifiers
- CAS
6521-48-8- PubChem CID
- 7408486
- DTXSID
DTXSID901017851
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Melting point
- 284 · 284-286 °C
- Boiling point
- 705.471 · 705.471±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.17 · 13.170±0.60(predicted)
- Sequence
- Cyclo(Phe-Trp)
Chemistry & industry
Applications
UsesIsorugulosuvine is a polypeptide that can be found by peptide screening. Peptide screening is a research tool that pools active peptides primarily by immunoassay. Peptide screening can be used for protein interaction, functional analysis, epitope screening, especially in the field of agent research and development[1].
Additional notes
DefinitionChEBI: (11S,14S)-Cyclo-(L-Trp-L-Phe) is a member of indoles. It has a role as an Aspergillus metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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