CAS 130622-07-0

1-(1,1-Dimethylethyl) (3R)-3-carboxy-11,11-dimethyl-9-oxo-10-oxa-5-thia-2,8-diazadodecanoate

Description:

1-(1,1-Dimethylethyl) (3R)-3-carboxy-11,11-dimethyl-9-oxo-10-oxa-5-thia-2,8-diazadodecanoate, with CAS number 130622-07-0, is a complex organic compound characterized by its unique structural features, including multiple functional groups such as carboxylic acid, ketone, and thioether. The presence of a thia (sulfur-containing) and diaza (nitrogen-containing) moiety contributes to its potential biological activity and reactivity. This compound is likely to exhibit moderate to high polarity due to the carboxylic acid group, which can participate in hydrogen bonding, influencing its solubility in polar solvents. The bulky tert-butyl group (1,1-dimethylethyl) may impart steric hindrance, affecting its interaction with biological targets. Additionally, the compound's structural complexity suggests potential applications in medicinal chemistry or as a synthetic intermediate in organic synthesis. However, specific properties such as melting point, boiling point, and spectral data would require empirical determination or literature reference for detailed characterization.

Formula: C₁₅H₂₈N₂O₆S

InChI: InChI=1S/C15H28N2O6S/c1-14(2,3)22-12(20)16-7-8-24-9-10(11(18)19)17-13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m0/s1

InChI key: InChIKey=IEQFHDBZITZXMZ-JTQLQIEISA-N

SMILES: [C@H](NC(OC(C)(C)C)=O)(CSCCNC(OC(C)(C)C)=O)C(O)=O

Synonyms:

• 1-(1,1-Dimethylethyl) (3R)-3-carboxy-11,11-dimethyl-9-oxo-10-oxa-5-thia-2,8-diazadodecanoate
• 10-Oxa-5-thia-2,8-diazadodecanoic acid, 3-carboxy-11,11-dimethyl-9-oxo-, 1-(1,1-dimethylethyl) ester, (3R)-
• L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-