tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide

Base Information

• Chemical Name: tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide
• CAS No.: 117722-95-9
• Molecular Formula: C27H38 N6 O10
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30151892
• Wikidata: Q83018438
• Mol file: 117722-95-9.mol

Synonyms:Boc-Ala-Ala-Pro-Glu-pNA;tert-butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide

Chemical Property of tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 936.9°Cat760mmHg
• Flash Point: 520.4°C
• PSA: 242.23000
• Density: 1.349g/cm³
• LogP: 3.71090
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 606.26494143
• Heavy Atom Count: 43
• Complexity: 1080

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(CCC(=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](CCC(=O)N)C(=O)O)NC(=O)OC(C)(C)C

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