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CAS 139694-65-8

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N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide

Description:
The chemical substance known as N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide, with the CAS number 139694-65-8, is a complex organic compound characterized by its intricate structure, which includes multiple functional groups such as amides, carbonyls, and aromatic rings. This compound is likely to exhibit properties typical of peptides and amino acid derivatives, including potential biological activity due to its structural resemblance to naturally occurring amino acids. The presence of the phenylmethoxy group suggests hydrophobic characteristics, which may influence its solubility and interaction with biological membranes. Additionally, the stereochemistry indicated by the (αS,βS) notation implies specific spatial arrangements that can affect the compound's reactivity and binding affinity to biological targets. Overall, this substance may have applications in medicinal chemistry or biochemistry, particularly in the design of peptide-based therapeutics or as a research tool in studying protein interactions.
Formula:C31H41N5O7
InChI:InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
InChI key:InChIKey=XCVUOCMQYKSJJR-IGRGDXOOSA-N
SMILES:C([C@H]([C@H](CC1=CC=CC=C1)NC([C@@H](NC(OCC2=CC=CC=C2)=O)CC(N)=O)=O)O)(=O)N3[C@H](C(NC(C)(C)C)=O)CCC3
Synonyms:
  • KNI 102
  • RPI 312
  • L-Prolinamide, N2-[(phenylmethoxy)carbonyl]-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-
  • N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide
  • L-Prolinamide, N2-[(phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-
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