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CAS 159857-81-5

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N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-L-ornithinamide

Description:
The chemical substance N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-L-ornithinamide, with CAS number 159857-81-5, is a complex organic compound characterized by its multi-functional structure. It features a combination of amino acids, specifically L-valine and L-ornithine, which contribute to its potential biological activity. The presence of a pyrrole ring and various functional groups, including nitrophenoxy and carbonyl moieties, suggests that it may exhibit significant reactivity and potential interactions with biological targets. This compound is likely to be soluble in polar solvents due to its amino acid components and polar functional groups. Its intricate structure may also indicate potential applications in medicinal chemistry, particularly in the development of peptide-based therapeutics or as a biochemical probe. However, detailed studies on its pharmacological properties, stability, and synthesis would be necessary to fully understand its characteristics and potential uses.
Formula:C35H43N7O11
InChI:InChI=1S/C35H43N7O11/c1-22(2)31(40-28(43)8-4-3-5-20-41-29(44)17-18-30(41)45)33(47)39-27(7-6-19-37-34(36)48)32(46)38-24-11-9-23(10-12-24)21-52-35(49)53-26-15-13-25(14-16-26)42(50)51/h9-18,22,27,31H,3-8,19-21H2,1-2H3,(H,38,46)(H,39,47)(H,40,43)(H3,36,37,48)/t27-,31-/m0/s1
InChI key:InChIKey=HYSPJPGXSALJRR-DHIFEGFHSA-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(CCCCCN3C(=O)C=CC3=O)=O)C(C)C)=O)CCCNC(N)=O
Synonyms:
  • Maleimidocaproyl-L-valine-L-citrulline-p-aminobenzyl alcohol p-nitrophenyl carbonate
  • 4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl(4-nitrophenyl)carbonate
  • MC-Val-Cit-PAB-PNP
  • N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-L-ornithinamide
  • L-Ornithinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-
  • MC-VAL-CIT-PAB-PNB
  • Mc-Val-Cit-PABC-PNP (Maleimidocaproyl-L-valine-L-citrulline-p-aminobenzyl alcohol p-nitrophenyl carbonate)
  • N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aMinocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]Methyl]phenyl]-
  • MC-VC-PAB-PNP,Mc-Val-Cit-PABC-PNP
  • 4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl 4-nitrophenyl carbonate,linker
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