2,5-Piperazinedione, 3-(1H-indol-3-ylmethyl)-6-(phenylmethyl)-
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Basic information
- CAS
82597-82-8- Standard SMILES
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)NC1Cc1ccccc1- InChIKey
CUVKAUWOMPJEMI-UHFFFAOYSA-N- Molecular formula
- C20H19N3O2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.14772686
Overview
3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione has been reported in Aspergillus niger with data available.
Names & identifiers
- Preferred name
- 2,5-Piperazinedione, 3-(1H-indol-3-ylmethyl)-6-(phenylmethyl)-
- IUPAC
- 3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
- English name
- CYCLO(-PHE-TRP)
- Molecular formula
- C20H19N3O2
- Molecular weight
- 333.38
Names & synonyms
82597-82-82,5-Piperazinedione, 3-(1H-indol-3-ylmethyl)-6-(phenylmethyl)-RefChem:10601453-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione3-((1H-Indol-3-yl)methyl)-6-benzylpiperazine-2,5-dioneCyclo(-L-Phe-L-Trp)3-benzyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione3-[(1h-indol-3-yl)methyl]-6-benzylpiperazine-2,5-dioneMEGxm0_000093MEGxm0_000102orb1990256SCHEMBL17867293
Show more names
RugulosuvineCyclo(Trp-Phe)CYCLO(-PHE-TRP)Cyclo(-L-Phe-L-Trp)≥ 99% (HPLC)
ACon0_001421DTXSID5010028083-(1H-Indol-3-ylmethyl)-6-(phenylmethyl)-2,5-piperazinedioneGAA52148Cyclo(L-phenylalanyl-L-tryptophanyl)AKOS027251040BS-1237CS-0208904
Database identifiers
- CAS
82597-82-8
Properties
Computed structural propertiesFilling in
- 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
- Boiling point
- 705.5 · 705.5±50.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- storage temp.
- 0 °C · Store at 0°C
- pka
- 13.17 · 13.17±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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