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CAS 229957-50-0

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<span class="text-smallcaps">L</span>-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, hydrate (1:1)

Description:
The chemical substance known as L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, hydrate (1:1) with CAS number 229957-50-0 is a derivative of the amino acid L-aspartic acid. This compound features a phenylmethoxycarbonyl group, which enhances its stability and solubility, making it useful in various biochemical applications. The presence of the tert-butyl ester group contributes to its hydrophobic characteristics, potentially influencing its interaction with biological membranes and proteins. As a hydrate, it contains water molecules in its structure, which can affect its physical properties, such as solubility and crystallization behavior. This compound may be utilized in peptide synthesis and drug development due to its structural features that can facilitate specific interactions in biological systems. Overall, its unique combination of functional groups and hydration state makes it a valuable compound in medicinal chemistry and biochemistry research.
Formula:C16H21NO6·H2O
InChI:InChI=1S/C16H21NO6.H2O/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);1H2/t12-;/m0./s1
InChI key:InChIKey=UWDOQNWFLPMMLQ-YDALLXLXSA-N
SMILES:C(OC(N[C@@H](CC(OC(C)(C)C)=O)C(O)=O)=O)C1=CC=CC=C1.O
Synonyms:
  • Z-Asp(OtBu)-OH・H2O
  • (S)-2-(((Benzyloxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid hydrate
  • L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, hydrate (1:1)
  • L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, monohydrate
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