tert-butyl N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Base Information

• Chemical Name: tert-butyl N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
• CAS No.: 104180-24-7
• Molecular Formula: C30H39 N5 O5 S
• Molecular Weight: 581.73
• DSSTox Substance ID: DTXSID40392739
• Mol file: 104180-24-7.mol

Synonyms:Boc-Trp-Met-Phe amide;104180-24-7;tert-butyl N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate;DTXSID40392739;ZINC04534189;Boc-Trp-Met-Phe amide, >=97% (TLC);FT-0762305

Chemical Property of tert-butyl N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Chemical Property:

• Boiling Point: 936.9±65.0 °C(Predicted)
• PKA: 11.28±0.46(Predicted)
• PSA: 180.71000
• Density: 1.246±0.06 g/cm3(Predicted)
• LogP: 4.92740
• Storage Temp.: −20°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 581.26719054
• Heavy Atom Count: 41
• Complexity: 891

Purity/Quality:

97% ^*data from raw suppliers

BOC-TRP-MET-PHE AMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC3=CC=CC=C3)C(=O)N