CAS 130408-77-4
:N-(tert-butoxycarbonyl)-L-tryptophyl-N~6~-[(2-methylphenyl)carbamoyl]-L-lysyl-L-alpha-aspartyl-Nalpha-methyl-L-phenylalaninamide
Description:
N-(tert-butoxycarbonyl)-L-tryptophyl-N~6~-[(2-methylphenyl)carbamoyl]-L-lysyl-L-alpha-aspartyl-Nalpha-methyl-L-phenylalaninamide, with CAS number 130408-77-4, is a complex peptide derivative characterized by its multi-functional groups and specific amino acid sequence. This compound features a tert-butoxycarbonyl (Boc) protecting group, which is commonly used in peptide synthesis to protect the amino group of the tryptophan residue. The presence of the N~6~-[(2-methylphenyl)carbamoyl] modification on the lysine side chain enhances its solubility and may influence its biological activity. The incorporation of L-alpha-aspartyl and Nalpha-methyl-L-phenylalaninamide residues contributes to its structural diversity and potential interactions in biological systems. This compound is likely to exhibit properties typical of peptides, such as solubility in polar solvents, potential bioactivity, and the ability to form hydrogen bonds due to its polar functional groups. Its complex structure suggests potential applications in pharmaceuticals, particularly in drug design and development, where peptide-based therapeutics are of interest.
Formula:C44H56N8O9
InChI:InChI=1/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1
SMILES:Cc1ccccc1NC(=NCCCC[C@@H](C(=N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=N)O)O)N=C([C@H](Cc1c[nH]c2ccccc12)N=C(O)OC(C)(C)C)O)O
Synonyms:- L-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophyl-N~6~-[[(2-methylphenyl)amino]carbonyl]-L-lysyl-L-alpha-aspartyl-Nalpha-methyl-
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