CAS 920014-72-8 appears in our catalog under these names: Setmelanotide, 98%, Setmelanotide (RM-493), Setmelanotide, Setmelanotide, 98% Acetate, 98% Acetate, Setmelanotide, 99.98%. Offered by: Chemat Brand, Creative Peptides, Chemat, MedChemExpress, TargetMol. Available pack sizes: on request, 1mg, 5mg, 25mg, 50 mg, 10mM/1mL, 100 mg, 5 mg.
(4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide (CAS 920014-72-8) is a chemical compound with the molecular formula C49H68N18O9S2 and a molecular weight of 1117.3 g/mol. IUPAC name: (4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide. InChIKey: HDHDTKMUACZDAA-PHNIDTBTSA-N.
| Molecular formula | C49H68N18O9S2 |
|---|---|
| Molecular weight | 1117.3 g/mol |
| IUPAC name | (4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide |
| InChIKey | HDHDTKMUACZDAA-PHNIDTBTSA-N |
| SMILES | C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C)C(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC=CC=C4)CC5=CN=CN5 |
Computed by PubChem (NCBI)