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CAS 2055047-18-0

:

N-[3-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]-1-oxopropyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-L-ornithinamide

Description:
The chemical substance with the name "N-[3-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]-1-oxopropyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-L-ornithinamide" and CAS number 2055047-18-0 is a complex organic compound characterized by its multi-functional groups, including azido, carbonyl, and amide functionalities. This compound likely exhibits properties typical of peptides or peptide-like structures, including potential biological activity due to the presence of amino acid residues such as L-valine and L-ornithine. The azido group may confer unique reactivity, making it useful in click chemistry applications. Additionally, the presence of nitrophenyl and ether linkages suggests potential for solubility in organic solvents and possible interactions with biological systems. Its intricate structure indicates that it may be of interest in medicinal chemistry, particularly in drug design or as a biochemical probe. However, specific physical and chemical properties such as solubility, melting point, and stability would require empirical determination or detailed literature references for comprehensive characterization.
Formula:C34H47N9O12
InChI:InChI=1S/C34H47N9O12/c1-23(2)30(41-29(44)13-16-51-18-20-53-21-19-52-17-15-38-42-36)32(46)40-28(4-3-14-37-33(35)47)31(45)39-25-7-5-24(6-8-25)22-54-34(48)55-27-11-9-26(10-12-27)43(49)50/h5-12,23,28,30H,3-4,13-22H2,1-2H3,(H,39,45)(H,40,46)(H,41,44)(H3,35,37,47)/t28-,30-/m0/s1
InChI key:InChIKey=HLBCDJANEWKOSX-JDXGNMNLSA-N
SMILES:[C@H](C(NC1=CC=C(COC(OC2=CC=C(N(=O)=O)C=C2)=O)C=C1)=O)(NC([C@@H](NC(CCOCCOCCOCCN=[N+]=[N-])=O)[C@H](C)C)=O)CCCNC(N)=O
Synonyms:
  • L-Ornithinamide, N-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-oxopropyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-
  • Azide-PEG3-Val-Ch-PAB-PNP
  • N-[3-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]-1-oxopropyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-L-ornithinamide
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