AC1Olrh5
Basic information
- CAS
16691-00-2- Standard SMILES
O=C(O)CC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC1=O- InChIKey
NDCKGUDRHBPJAQ-WDSKDSINSA-N- Molecular formula
- C10H14N2O6
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.08518617
Names & identifiers
- Preferred name
- AC1Olrh5
- IUPAC
- 3-[(2S,5S)-5-(2-carboxyethyl)-3,6-dioxopiperazin-2-yl]propanoic acid
- English name
- Cyclo(-Glu-Glu)
- Molecular formula
- C10H14N2O6
- Molecular weight
- 258.23
Names & synonyms
16691-00-2AC1OLRH5DTXSID50428619RefChem:314197DTXCID30379453CYCLO(-GLU-GLU)3-[(2S,5S)-5-(2-carboxyethyl)-3,6-dioxopiperazin-2-yl]propanoic acidMFCD002376112,5-Piperazinedipropanoicacid, 3,6-dioxo-, (2S,5S)-3,3'-((2S,5S)-3,6-Dioxopiperazine-2,5-diyl)dipropionic acidSCHEMBL317070853,3'-[(2S,5S)-3,6-Dioxopiperazine-2,5-diyl]dipropanoic Acid
Show more names
c(Glu-Glu)CYCLO(L-GLU-L-GLU)diketopiperazine of L-glutamic acid(2S,5S)-3,6-Dioxo-2,5-piperazinedipropanoic acid2,5-Piperazinedipropanoic acid, 3,6-dioxo-, (2S,5S)-3,3’-[(2S,5S)-3,6-Dioxopiperazine-2,5-diyl]dipropanoic Acid
HY-P4615AS-85914DA-72464FC108011SY350935CS-0655408G156663,3 inverted exclamation mark -[(2S,5S)-3,6-Dioxopiperazine-2,5-diyl]dipropanoic Acid
Database identifiers
- CAS
16691-00-2- PubChem CID
- 7408481
- DTXSID
DTXSID50428619- Nikkaji
- J611.769D
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 151 °C · 151 °C
- Boiling point
- 766 · 766.0±45.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 4.17 · 4.17±0.10(Predicted)
- Sequence
- Cyclo(-Glu-Glu)
Chemistry & industry
Applications
UsesCyclo(-Glu-Glu) is a cyclic peptide, a cyclic structure formed by linking two glutamic acid residues through a peptide bond[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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