§ 2
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Melanotan-II
Identity
| Field | Value |
|---|---|
| IUPAC name | (3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxamide |
| SMILES | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)C |
| InChI | InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 |
| InChIKey | JDKLPDJLXHXHNV-MFVUMRCOSA-N |
Chemistry
| Field | Value |
|---|---|
| Compound class | Cyclic heptapeptide (α-MSH analog) |
| Formula | C₅₀H₆₉N₁₅O₉ |
| Molecular weight | 1024.18 |
| CAS | 121062-08-6 |
| PubChem | PubChem CID 92432 (opens in a new tab) |
2D structure
3D structure
Computed conformer: one plausible shape of a flexible molecule, not a measured structure · RDKit
Additional properties
| Property | Value |
|---|---|
| Exact mass | 1023.54026884 Da |
| Monoisotopic mass | 1023.54026884 Da |
| XLogP3 | 0 |
| Topological polar surface area | 385 Ų |
| Hydrogen bond donors | 13 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 17 |
| Heavy atoms | 74 |
Also known as
MT-II, Melanotan (MT)-II, Melatonan
Identifiers
| Registry | Value |
|---|---|
| UNII | UPF5CJ93X7 (opens in a new tab) |
| DSSTox | DTXSID90153135 (opens in a new tab) |
| ChEBI | CHEBI:195326 (opens in a new tab) |
| Wikidata | Q423855 (opens in a new tab) |
Sources
| Source | Kind | Retrieved |
|---|---|---|
PubChem | Oct 12, 2026 | |
Computed conformer (RDKit ETKDGv3 + MMFF94) | Internal | Oct 12, 2026 |
Products containing this compound
| Product | Milligrams |
|---|---|
entire fill |