454705-04-5

Basic information

• Product Name: (8S,11S,14S)-11-Benzyl-14-((S)-sec-butyl)-2-nitro-10,13,16-trioxo-7,8,9,10,11,12,13,14,15,16-decahydro-6H-5-thia-9,12,15-triaza-benzocyclotetradecene-8-carboxylic acid amide
• CAS NO: 454705-04-5
• Molecular Weight: 541.628
• Mol File: 454705-04-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (8S,11S,14S)-11-Benzyl-14-((S)-sec-butyl)-2-nitro-10,13,16-trioxo-7,8,9,10,11,12,13,14,15,16-decahydro-6H-5-thia-9,12,15-triaza-benzocyclotetradecene-8-carboxylic acid amide(CAS DataBase Reference)
• NIST Chemistry Reference: (8S,11S,14S)-11-Benzyl-14-((S)-sec-butyl)-2-nitro-10,13,16-trioxo-7,8,9,10,11,12,13,14,15,16-decahydro-6H-5-thia-9,12,15-triaza-benzocyclotetradecene-8-carboxylic acid amide(454705-04-5)
• EPA Substance Registry System: (8S,11S,14S)-11-Benzyl-14-((S)-sec-butyl)-2-nitro-10,13,16-trioxo-7,8,9,10,11,12,13,14,15,16-decahydro-6H-5-thia-9,12,15-triaza-benzocyclotetradecene-8-carboxylic acid amide(454705-04-5)

Safety Data

• Hazardous Substances Data: 454705-04-5(Hazardous Substances Data)

Upstream product

• 709-46-6 2-fluoro-5-nitrobenzoyl chloride 
• 35661-40-6 N-Fmoc L-Phe 
• 71989-23-6 Fmoc-Ile-OH 
• 167015-23-8 Fmoc-L-homocysteine(S-trityl) 

Relevant articles and documents

Fluorinated and iodinated templates for syntheses of β-turn peptidomimetics

Various 2-fluoro-5-nitrobenzoic acids and the homocysteine derivative 2 have been combined in solid phase syntheses of the peptidomimetic types 3-6. NMR and CD data collected for some of these compounds indicate that a transannular SO to HN hydrogen bond stabilizes β-turn conformations for the sulfones and one of the sulfoxide epimers. An extensive library of compounds was made and studied to test this assertion.