Overview
Semax is listed in PubChem as Semax (CID 9811102), with the molecular formula C37H51N9O10S and a molecular weight of 813.9 g/mol. PubChem lists its sequence as Met-Glu-His-Phe-Pro-Gly-Pro, a 7-residue peptide. Other names in PubChem include ACTH (4-7) Pro-Gly-Pro, MEHFPGP. It is supplied as a lyophilized powder in sealed 40 mg vials.
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Molecular profile
| PubChem name | Semax |
|---|---|
| Also known as (PubChem) | ACTH (4-7) Pro-Gly-Pro, MEHFPGP |
| Sequence | Met-Glu-His-Phe-Pro-Gly-Pro |
| Length | 7 residues |
| Residue composition | Pro ×2, Glu, Gly, His, Met, Phe |
| Molecular formula | C37H51N9O10S |
| Molecular weight | 813.9 g/mol |
| CAS number | 80714-61-0 |
| PubChem CID | 9811102 |
Computed properties (PubChem)
| Exact mass | 813.3480 Da |
|---|---|
| Monoisotopic mass | 813.3480 Da |
| XLogP3 | −2.8 |
| Topological polar surface area | 312 Ų |
| Hydrogen bond donors | 8 |
| Hydrogen bond acceptors | 13 |
| Rotatable bonds | 21 |
| Heavy atoms | 57 |
| Formal charge | 0 |
| Complexity | 1450 |
| Defined stereocenters | 6 of 6 |
Identifiers (PubChem)
| InChIKey | AFEHBIGDWIGTEH-AQRCPPRCSA-N |
|---|---|
| SMILES | CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)NCC(=O)N4CCC[C@H]4C(=O)O)N |
| UNII | I5FAL2585H |
IUPAC name (PubChem)
(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
Source: PubChem compound 9811102