Overview
Epithalon is listed in PubChem as Epitalon (CID 219042), with the molecular formula C14H22N4O9 and a molecular weight of 390.35 g/mol. PubChem lists its sequence as Ala-Glu-Asp-Gly, a 4-residue peptide. Other names in PubChem include Epithalone, Epithalamin, AE-0 peptide. It is supplied as a lyophilized powder in sealed 10 mg vials.
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Molecular profile
| PubChem name | Epitalon |
|---|---|
| Also known as (PubChem) | Epithalone, Epithalamin, AE-0 peptide |
| Sequence | Ala-Glu-Asp-Gly |
| Length | 4 residues |
| Residue composition | Ala, Asp, Glu, Gly |
| Molecular formula | C14H22N4O9 |
| Molecular weight | 390.35 g/mol |
| CAS number | 307297-39-8 |
| PubChem CID | 219042 |
Computed properties (PubChem)
| Exact mass | 390.1387 Da |
|---|---|
| Monoisotopic mass | 390.1387 Da |
| XLogP3 | −5.5 |
| Topological polar surface area | 225 Ų |
| Hydrogen bond donors | 7 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 12 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 607 |
| Defined stereocenters | 3 of 3 |
Identifiers (PubChem)
| InChIKey | HGHOBRRUMWJWCU-FXQIFTODSA-N |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)N |
| UNII | O65P17785G |
IUPAC name (PubChem)
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Source: PubChem compound 219042