CAS 81559-22-0

(3E)-5-[{3-[(5R)-5-{3-[acetyl(hydroxy)amino]propyl}-3,6-dioxopiperazin-2-yl]propyl}(hydroxy)amino]-3-methyl-5-oxopent-3-en-1-yl N~2~-acetyl-N~5~-hydroxy-N~5~-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-L-ornithinate

Description:

The chemical substance with the name "(3E)-5-[{3-[(5R)-5-{3-[acetyl(hydroxy)amino]propyl}-3,6-dioxopiperazin-2-yl]propyl}(hydroxy)amino]-3-methyl-5-oxopent-3-en-1-yl N~2~-acetyl-N~5~-hydroxy-N~5~-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-L-ornithinate" and CAS number "81559-22-0" is a complex organic molecule characterized by multiple functional groups, including amines, ketones, and hydroxyl groups. This compound features a piperazine ring, which is a common structural motif in pharmaceuticals, and exhibits potential biological activity due to its intricate arrangement of amino acids and acyl groups. The presence of both hydroxy and acetyl groups suggests it may have solubility in polar solvents and could participate in hydrogen bonding. Its structural complexity indicates potential for interactions with biological targets, making it of interest in medicinal chemistry. The specific stereochemistry and functional groups may influence its pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion, which are critical for its efficacy as a therapeutic agent.

Formula: C₃₁H₅₀N₆O₁₂

InChI: InChI=1/C31H50N6O12/c1-20(11-16-38)18-27(41)37(48)15-7-10-26(32-22(3)39)31(45)49-17-12-21(2)19-28(42)36(47)14-6-9-25-30(44)33-24(29(43)34-25)8-5-13-35(46)23(4)40/h18-19,24-26,38,46-48H,5-17H2,1-4H3,(H,32,39)(H,33,44)(H,34,43)/b20-18+,21-19+/t24-,25?,26+/m1/s1

Synonyms:

• isotriornicine
• L-Ornithine, N2-acetyl-N5-hydroxy-N5-[(2E)-5-hydroxy-3-methyl-1-oxo-2-penten-1-yl]-, (3E)-5-[[3-[(2S,5S)-5-[3-(acetylhydroxyamino)propyl]-3,6-dioxo-2-piperazinyl]propyl]hydroxyamino]-3-methyl-5-oxo-3-penten-1-yl ester
• Istriornicin

Isotriornicine

CAS: 81559-22-0

Isotriornicine is a siderophore obtained from Epioccus purpurascens.

Formula: C₃₁H₅₀N₆O₁₂

Color and Shape: Solid

Molecular weight: 698.771

Ref: TM-T32235