Pyridin-4-ylmethyl 2-[[2-[[2-[[2-[2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate

Base Information

• Chemical Name: Pyridin-4-ylmethyl 2-[[2-[[2-[[2-[2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate
• CAS No.: 115389-04-3
• Molecular Formula: C50H63 N9 O10
• Molecular Weight: 950.09
• DSSTox Substance ID: DTXSID80402609
• Mol file: 115389-04-3.mol

Synonyms:115389-04-3;pyridin-4-ylmethyl 2-[[2-[[2-[[2-[2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate;DTXSID80402609;(Pyridin-4-yl)methyl phenylalanylalanylalanyl-4-nitrophenylalanylphenylalanylvalylleucinate

Chemical Property of Pyridin-4-ylmethyl 2-[[2-[[2-[[2-[2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate

Chemical Property:

• PSA: 306.57000
• LogP: 9.00440
• Storage Temp.: −20°C
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 25
• Exact Mass: 949.46978924
• Heavy Atom Count: 69
• Complexity: 1680

Purity/Quality:

98%min ^*data from raw suppliers

PHE-ALA-ALA-PHE(4-NO2)-PHE-VAL-LEU (4-PYRIDYLMETHYL) ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)OCC1=CC=NC=C1)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)N