5-({(2s)-1-[(4-Nitrophenyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-5-oxopentanoic acid

Base Information

• Chemical Name: 5-({(2s)-1-[(4-Nitrophenyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-5-oxopentanoic acid
• CAS No.: 5800-34-0
• Molecular Formula: C20H21 N3 O6
• Molecular Weight: 399.403
• European Community (EC) Number: 227-351-4
• DSSTox Substance ID: DTXSID30973571
• Wikidata: Q82957518
• Mol file: 5800-34-0.mol

Synonyms:glutaryl-L-phenylalanine-p-nitroanilide;glutaryl-Phe-p-nitroanilide;glutarylphenylalanine-4-nitroanilide;glutarylphenylalanine-p-nitroanilide;GPNA

Chemical Property of 5-({(2s)-1-[(4-Nitrophenyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-5-oxopentanoic acid

Chemical Property:

• Vapor Pressure: 1.49E-25mmHg at 25°C
• Melting Point: ~200 °C
• Boiling Point: 779.1°Cat760mmHg
• Flash Point: 425°C
• PSA: 141.32000
• Density: 1.353g/cm³
• LogP: 3.50280
• Storage Temp.: −20°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 399.14303540
• Heavy Atom Count: 29
• Complexity: 577

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Glutaryl-L-phenylalanine p-nitroanilide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCCC(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCCC(=O)O

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