CAS 64067-13-6

(4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[(4-nitrophenyl)methoxy]carbonyl]amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Description:

The chemical substance known as "(4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[(4-nitrophenyl)methoxy]carbonyl]amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate" with the CAS number 64067-13-6 is a complex organic compound characterized by its bicyclic structure and multiple functional groups. It features a nitrophenyl moiety, which contributes to its potential reactivity and biological activity. The presence of a hydroxyethyl group indicates potential for hydrogen bonding and solubility in polar solvents. The compound also contains a thioether linkage, which can influence its pharmacokinetic properties. Its bicyclic framework, specifically the azabicyclo structure, suggests it may exhibit unique conformational properties that could be relevant in biological systems. The overall molecular architecture implies potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. However, specific properties such as solubility, stability, and reactivity would require empirical investigation to fully characterize its behavior in various environments.

Formula: C₂₆H₂₆N₄O₁₀S

InChI: InChI=1S/C26H26N4O10S/c1-15(31)22-20-12-21(41-11-10-27-26(34)40-14-17-4-8-19(9-5-17)30(37)38)23(28(20)24(22)32)25(33)39-13-16-2-6-18(7-3-16)29(35)36/h2-9,15,20,22,31H,10-14H2,1H3,(H,27,34)/t15-,20-,22-/m1/s1

InChI key: InChIKey=GOIVJQWRIDIJOW-RBQRDFNRSA-N

SMILES: C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])(CC2SCCNC(OCC4=CC=C(N(=O)=O)C=C4)=O)[H]

Synonyms:

• (4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[(4-nitrophenyl)methoxy]carbonyl]amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• (4-Nitrophenyl)methyl (5R-(5alpha,6alpha(R*)))-6-(1-hydroxyethyl)-3-((2-((((4-nitrophenyl)methoxy)carbonyl)amino)ethyl)thio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate
• 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-[[2-[[[(4-nitrophenyl)methoxy]carbonyl]amino]ethyl]thio]-7-oxo-, (4-nitrophenyl)methyl ester, [5R-[5α,6α(R*)]]-
• 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[[[(4-nitrophenyl)methoxy]carbonyl]amino]ethyl]thio]-7-oxo-, (4-nitrophenyl)methyl ester, (5R,6S)-
• 4-nitrobenzyl (5R)-6-[(1R)-1-hydroxyethyl]-3-{[2-({[(4-nitrobenzyl)oxy]carbonyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate