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

Base Information

• Chemical Name: 2-((4-(Phenylazo)benzyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(N-(tert-butoxycarbonyl)-L-seryl)-L-cysteinate
• CAS No.: 76408-56-5
• Molecular Formula: C29H39 N5 O9 S2
• Molecular Weight: 665.77806
• European Community (EC) Number: 278-439-4
• DSSTox Substance ID: DTXSID801101758
• Nikkaji Number: J319.316K
• Mol file: 76408-56-5.mol

Synonyms:EINECS 278-439-4;76408-56-5;2-((4-(Phenylazo)benzyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(N-(tert-butoxycarbonyl)-L-seryl)-L-cysteinate;DTXSID801101758;NS00058706;L-Cysteine, S-[(acetylamino)methyl]-N-[N-[(1,1-dimethylethoxy)carbonyl]-L-seryl]-, 2-[[[4-(phenylazo)phenyl]methyl]sulfonyl]ethyl ester

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 967°C at 760 mmHg
• Flash Point: 538.6°C
• PSA: 246.07000
• Density: 1.32g/cm³
• LogP: 5.72300
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 19
• Exact Mass: 665.21892019
• Heavy Atom Count: 45
• Complexity: 1090

Purity/Quality:

99%min ^*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)C(CO)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)[C@H](CO)NC(=O)OC(C)(C)C