Description
A synthetic analog of alpha-melanocyte-stimulating hormone (α-MSH), studied in early pharmacological research for melanocortin receptor activity. This compound has been the subject of specific FDA public safety communications regarding unapproved use and is supplied strictly for laboratory research, not for human application.
Supplied for laboratory research or business use only. Not for human or veterinary consumption, not for personal use. A Certificate of Analysis is available on request for each lot.
Properties
| Molecular Formula | C50H69N15O9 |
| Molecular Weight | 1024.2 g/mol |
| Monoisotopic Mass | 1023.54026884 |
| Polar Surface Area | 385 Ų |
| Complexity | 1950 |
| XLogP | 0 |
| Heavy Atom Count | 74 |
| H-Bond Donor Count | 13 |
| H-Bond Acceptor Count | 11 |
| Rotatable Bond Count | 17 |
| Physical Appearance | Fine white to off-white lyophilized powder. |
| Stability | Lyophilized peptide should be stored at -20°C. Once reconstituted, store at 2-8°C and avoid repeated freeze-thaw cycles. |
Identifiers
| PubChem CID | 92432 |
| CAS Number | 121062-08-6 |
Structure and identifiers sourced from PubChem (CID 92432).
Advanced Identifiers
| 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 |
| Isomeric 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 |
| Canonical SMILES | CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)C |
| 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 |
