t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester

Base Information

• Chemical Name: t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester
• CAS No.: 102714-80-7
• Molecular Formula: C24H37 N3 O6 S
• Molecular Weight: 495.63
• DSSTox Substance ID: DTXSID20908014
• Wikidata: Q82877364
• Mol file: 102714-80-7.mol

Synonyms:Boc-Met-Aib-Phe-OMe;t-butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester

Chemical Property of t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester

Chemical Property:

• Vapor Pressure: 4.11E-20mmHg at 25°C
• Boiling Point: 711.9°Cat760mmHg
• Flash Point: 384.3°C
• PSA: 148.13000
• Density: 1.155g/cm³
• LogP: 3.60080
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 495.24030708
• Heavy Atom Count: 34
• Complexity: 701

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CCSC)C(=O)NC(C)(C)C(=O)NC(CC1=CC=CC=C1)C(=O)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NC(C)(C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC