Overview
Melanotan-1 (MT-1) is listed in PubChem as Afamelanotide (CID 16197727), with the molecular formula C78H111N21O19 and a molecular weight of 1646.8 g/mol. PubChem lists its sequence as Ac-Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2, a 13-residue peptide. Other names in PubChem include Melanotan I, Melanotan-1, NDPMSH, 4-Nle-7-Phe-alpha-MSH, CUV1647. It is supplied as a lyophilized powder in sealed 10 mg vials.
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Molecular profile
| PubChem name | Afamelanotide |
|---|---|
| Also known as (PubChem) | Melanotan I, Melanotan-1, NDPMSH, 4-Nle-7-Phe-alpha-MSH, CUV1647 |
| Sequence | Ac-Ser-Tyr-Ser-Nle-Glu-His-D-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2 |
| Length | 13 residues |
| Residue composition | Ser ×2, Arg, D-Phe, Glu, Gly, His, Lys, Nle, Pro, Trp, Tyr, Val |
| Molecular formula | C78H111N21O19 |
| Molecular weight | 1646.8 g/mol |
| CAS number | 75921-69-6 |
| PubChem CID | 16197727 |
Computed properties (PubChem)
| Exact mass | 1645.8365 Da |
|---|---|
| Monoisotopic mass | 1645.8365 Da |
| XLogP3 | −3.5 |
| Topological polar surface area | 643 Ų |
| Hydrogen bond donors | 23 |
| Hydrogen bond acceptors | 22 |
| Rotatable bonds | 51 |
| Heavy atoms | 118 |
| Formal charge | 0 |
| Complexity | 3360 |
| Defined stereocenters | 12 of 12 |
Identifiers (PubChem)
| InChIKey | UAHFGYDRQSXQEB-LEBBXHLNSA-N |
|---|
IUPAC name (PubChem)
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Source: PubChem compound 16197727
