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CAS 169322-17-2

:

Methyl 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]benzoate

Description:
Methyl 4-[[[2S]-2-[[[2R]-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]benzoate, with CAS number 169322-17-2, is a complex organic compound characterized by its intricate structure, which includes multiple functional groups such as amino, hydroxyamino, and ester functionalities. This compound is likely to exhibit properties typical of amino acids and peptides, including potential solubility in polar solvents due to the presence of hydroxyl and amino groups. Its molecular structure suggests it may participate in hydrogen bonding, influencing its reactivity and interactions with biological systems. The presence of a benzoate moiety indicates potential applications in medicinal chemistry, possibly as a precursor or intermediate in drug synthesis. Additionally, the stereochemistry indicated by the (2S) and (2R) designations suggests that the compound may exhibit chirality, which can affect its biological activity and pharmacokinetics. Overall, this compound's unique characteristics make it of interest in various fields, including pharmaceuticals and biochemistry.
Formula:C22H33N3O6
InChI:InChI=1S/C22H33N3O6/c1-13(2)10-16(12-19(26)25-30)20(27)24-18(11-14(3)4)21(28)23-17-8-6-15(7-9-17)22(29)31-5/h6-9,13-14,16,18,30H,10-12H2,1-5H3,(H,23,28)(H,24,27)(H,25,26)/t16-,18+/m1/s1
InChI key:InChIKey=CEEASCNCHQSPKF-AEFFLSMTSA-N
SMILES:N(C([C@@H](NC([C@@H](CC(NO)=O)CC(C)C)=O)CC(C)C)=O)C1=CC=C(C(OC)=O)C=C1
Synonyms:
  • Benzoic acid, 4-[[2-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-, methyl ester, [S-(R*,S*)]-
  • RS 39066
  • Methyl 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]benzoate
  • Benzoic acid, 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-, methyl ester
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