2-((4-(Phenylazo)benzyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate

Base Information

• Chemical Name: 2-((4-(Phenylazo)benzyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate
• CAS No.: 76408-54-3
• Molecular Formula: C26H34 N4 O7 S2
• Molecular Weight: 578.711
• European Community (EC) Number: 278-437-3
• DSSTox Substance ID: DTXSID101104325
• Nikkaji Number: J319.315B
• Mol file: 76408-54-3.mol

Synonyms:76408-54-3;EINECS 278-437-3;2-((4-(Phenylazo)benzyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate;DTXSID101104325;NS00058705;2-((4-(Phenyldiazenyl)benzyl)sulfonyl)ethyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate;L-Cysteine, S-[(acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-, 2-[[[4-(phenylazo)phenyl]methyl]sulfonyl]ethyl ester

Chemical Property of 2-((4-(Phenylazo)benzyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate

Chemical Property:

• Vapor Pressure: 1.66E-27mmHg at 25°C
• Boiling Point: 827.2°C at 760 mmHg
• Flash Point: 454.1°C
• PSA: 193.25000
• Density: 1.27g/cm³
• LogP: 6.40560
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 16
• Exact Mass: 578.18689178
• Heavy Atom Count: 39
• Complexity: 918

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCSCC(C(=O)OCCS(=O)(=O)CC1=CC=C(C=C1)N=NC2=CC=CC=C2)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC(=O)NCSC[C@@H](C(=O)OCCS(=O)(=O)CC1=CC=C(C=C1)N=NC2=CC=CC=C2)NC(=O)OC(C)(C)C