(2R)-2-[[(2R)-2-[(3,5-dinitrobenzoyl)amino]propanoyl]amino]propanoic acid

Base Information

• Chemical Name: (2R)-2-[[(2R)-2-[(3,5-dinitrobenzoyl)amino]propanoyl]amino]propanoic acid
• CAS No.: 477572-39-7
• Molecular Formula: C13H14N4O8
• Molecular Weight: 0.00000
• DSSTox Substance ID: DTXSID80448229
• Wikidata: Q82267202
• Mol file: 477572-39-7.mol

Synonyms:CTK1D1571;477572-39-7;DTXSID80448229

Chemical Property of (2R)-2-[[(2R)-2-[(3,5-dinitrobenzoyl)amino]propanoyl]amino]propanoic acid

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 354.08116342
• Heavy Atom Count: 25
• Complexity: 547

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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