CAS 1222068-61-2

1,1-Dimethylethyl (3S)-3-amino-4-[(2,2-diethoxyethyl)(2-phenylethyl)amino]-4-oxobutanoate

Description:

1,1-Dimethylethyl (3S)-3-amino-4-[(2,2-diethoxyethyl)(2-phenylethyl)amino]-4-oxobutanoate, identified by its CAS number 1222068-61-2, is a complex organic compound characterized by its multi-functional structure. It features an amino acid backbone with a ketone functional group, which contributes to its potential reactivity and biological activity. The presence of the 1,1-dimethylethyl group suggests steric hindrance, which may influence the compound's interactions with biological targets. The diethoxyethyl and phenylethyl substituents indicate that the molecule may exhibit lipophilic properties, potentially affecting its solubility and permeability in biological systems. This compound may be of interest in medicinal chemistry due to its structural features that could interact with various biological pathways. Its specific stereochemistry, indicated by the (3S) designation, may also play a crucial role in its biological activity and pharmacodynamics. Overall, this compound's unique characteristics make it a candidate for further investigation in drug development and related fields.

Formula: C₂₂H₃₆N₂O₅

InChI: InChI=1S/C22H36N2O5/c1-6-27-20(28-7-2)16-24(14-13-17-11-9-8-10-12-17)21(26)18(23)15-19(25)29-22(3,4)5/h8-12,18,20H,6-7,13-16,23H2,1-5H3/t18-/m0/s1

InChI key: InChIKey=JREXEEVIWHXCAG-SFHVURJKSA-N

SMILES: N(CC(OCC)OCC)(C([C@H](CC(OC(C)(C)C)=O)N)=O)CCC1=CC=CC=C1

Synonyms:

• Butanoic acid, 3-amino-4-[(2,2-diethoxyethyl)(2-phenylethyl)amino]-4-oxo-, 1,1-dimethylethyl ester, (3S)-
• 1,1-Dimethylethyl (3S)-3-amino-4-[(2,2-diethoxyethyl)(2-phenylethyl)amino]-4-oxobutanoate
• (s)-tert-Butyl 3-amino-4-((2,2-diethoxyethyl)(phenethyl)amino)-4-oxobutanoate