N-tert-Butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide

Base Information

• Chemical Name: N-tert-Butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide
• CAS No.: 117722-96-0
• Molecular Formula: C26H36 N6 O10
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90151893
• Wikidata: Q83018439
• Mol file: 117722-96-0.mol

Synonyms:BAAPAP;Boc-Ala-Ala-Pro-Asp-pNA;N-tert-butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide

Chemical Property of N-tert-Butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 920°Cat760mmHg
• Flash Point: 510.2°C
• Density: 1.368g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 592.24929137
• Heavy Atom Count: 42
• Complexity: 1060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(CC(=O)N)C(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CC(=O)N)C(=O)O)NC(=O)OC(C)(C)C