N-(4-Azidobenzoylglycyl)-S-(2-thiopyridyl)cysteine

Base Information

• Chemical Name: N-(4-Azidobenzoylglycyl)-S-(2-thiopyridyl)cysteine
• CAS No.: 78196-39-1
• Molecular Formula: C17H16 N6 O4 S2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70228830
• Wikidata: Q83108904
• Mol file: 78196-39-1.mol

Synonyms:AGTC;N-(4-azidobenzoylglycyl)-S-(2-thiopyridyl)cysteine

Chemical Property of N-(4-Azidobenzoylglycyl)-S-(2-thiopyridyl)cysteine

Chemical Property:

• PSA: 212.23000
• LogP: 3.44706
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 432.06744536
• Heavy Atom Count: 29
• Complexity: 623

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)SSCC(C(=O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)N=[N+]=[N-]
• Isomeric SMILES: C1=CC=NC(=C1)SSC[C@@H](C(=O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)N=[N+]=[N-]