N(alpha)-Acetylasparaginyl-lysyl-N(epsilon)-4-azidobenzoyl-threoninamide

Base Information

• Chemical Name: N(alpha)-Acetylasparaginyl-lysyl-N(epsilon)-4-azidobenzoyl-threoninamide
• CAS No.: 97530-18-2
• Molecular Formula: C23H33N9O7
• Molecular Weight: 547.5642
• DSSTox Substance ID: DTXSID60243017
• Wikidata: Q83126977
• Mol file: 97530-18-2.mol

Synonyms:N(alpha)-acetylasparaginyl-lysyl-N(epsilon)-4-azidobenzoyl-threoninamide;N-Ac-Asn-Lys-AZB-Thr-NH2

Chemical Property of N(alpha)-Acetylasparaginyl-lysyl-N(epsilon)-4-azidobenzoyl-threoninamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 285.01000
• Density: g/cm³
• LogP: 3.40826
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 16
• Exact Mass: 547.25029443
• Heavy Atom Count: 39
• Complexity: 946

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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