494765-98-9

Basic information

• Product Name: 2-((S)-1-{(S)-2-[(2S,3S)-2-((2R,3S)-2-tert-Butoxycarbonylamino-3-methyl-pentanoylamino)-3-hydroxy-butyrylamino]-3-phenyl-propionyl}-pyrrolidin-2-yl)-thiazole-4-carboxylic acid methyl ester
• CAS NO: 494765-98-9
• Molecular Weight: 673.831
• Mol File: 494765-98-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-((S)-1-{(S)-2-[(2S,3S)-2-((2R,3S)-2-tert-Butoxycarbonylamino-3-methyl-pentanoylamino)-3-hydroxy-butyrylamino]-3-phenyl-propionyl}-pyrrolidin-2-yl)-thiazole-4-carboxylic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-((S)-1-{(S)-2-[(2S,3S)-2-((2R,3S)-2-tert-Butoxycarbonylamino-3-methyl-pentanoylamino)-3-hydroxy-butyrylamino]-3-phenyl-propionyl}-pyrrolidin-2-yl)-thiazole-4-carboxylic acid methyl ester(494765-98-9)
• EPA Substance Registry System: 2-((S)-1-{(S)-2-[(2S,3S)-2-((2R,3S)-2-tert-Butoxycarbonylamino-3-methyl-pentanoylamino)-3-hydroxy-butyrylamino]-3-phenyl-propionyl}-pyrrolidin-2-yl)-thiazole-4-carboxylic acid methyl ester(494765-98-9)

Safety Data

• Hazardous Substances Data: 494765-98-9(Hazardous Substances Data)

Upstream product

• 13139-16-7 N-tert-butoxycarbonyl-D-alloisoleucine 
• 15761-39-4 1-(tert-butoxycarbonyl)-L-proline 
• 69610-41-9 Boc-L-Pro-H 
• 115186-37-3 tert-butyl (2S)-2-{[N-methoxy(N-methyl)amino]carbonyl}pyrrolidine-1-carboxylate 
• 347191-31-5 (2S)-2-(1-tert-butoxycarbonylpyrrolidin-2-yl)-thiazolidine-4-carboxylic acid methyl ester 
• 347191-33-7 Boc-L-Pro-Thz-OMe 
• 347191-35-9 methyl 2-{(S)-1-[(S)-2-tert-butoxycarbonylamino-3-phenylpropanoyl]pyrrolidin-2-yl}-thiazole-4-carboxylate 
• 347191-37-1 Boc-L-aThr-L-Phe-L-Pro-Thz-OMe 

Downstream Products

• 494765-91-2 C₄₁H₅₁N₇O₇S 
• 494765-90-1 2-(1-{2-[2-(2-{[1-(2-tert-butoxycarbonylamino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-methyl-pentanoylamino)-3-hydroxy-butyrylamino]-3-phenyl-propionyl}-pyrrolidin-2-yl)-thiazole-4-carboxylic acid methyl ester 

Relevant articles and documents

Total synthesis and conformational studies of ceratospongamide, a bioactive cyclic heptapeptide from marine origin

The first total synthesis of cis,cis-ceratospongamide (cyclo[L-Pro-L-Ile-Me-oxazoline-L-Phe-L-Pro-thiazole-L-Phe-]) was accomplished and confirmed by X-ray crystal analysis. The heating of cis,cis-ceratospongamide in DMSO converted it not to the trans,trans isomer but to the trans,trans-[D-allo-Ile]-ceratospongamide, which was confirmed by total synthesis. Its solution conformation was constructed by the dynamic simulated annealing method using ROE cross peaks, revealing a rounded and flat ring structure which is in contrast with the slim and tight structure of cis,cis isomer. The results shows that the trans,trans-[D-allo-Ile] isomer is the main thermal product of cis,cis-ceratospongamide.