Thiopeptin B

Base Information

• Chemical Name: Thiopeptin B
• CAS No.: 37339-66-5
• Molecular Formula: C72H104N18O18S5
• Molecular Weight: 1670.05
• Metabolomics Workbench ID: 98061
• Mol file: 37339-66-5.mol

Synonyms:thiopeptin B

Chemical Property of Thiopeptin B

Chemical Property:

• XLogP3: -1.1
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 32
• Rotatable Bond Count: 11
• Exact Mass: 1668.4535249
• Heavy Atom Count: 113
• Complexity: 3850

Purity/Quality:

99% ^*data from raw suppliers

THIOPEPTIN B 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=C1C2=NC(CS2)C(=O)NC(C3=NC(=CS3)C(=S)NC4C(OC(=O)C5=NC6=C(C=CC(C6O)NC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC7(CCC(NC7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)C2=NC(=CS2)C(=O)NC(C(=O)N1)C(C)O)C)C)C(C)C)C(=C5)C(C)O)C)C(C)(C(C)O)O
• Isomeric SMILES: C/C=C/1\C2=NC(CS2)C(=O)NC(C3=NC(=CS3)C(=S)NC4C(OC(=O)C5=NC6=C(C=CC(C6O)NC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC7(CCC(NC7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)C2=NC(=CS2)C(=O)NC(C(=O)N1)C(C)O)C)C)C(C)C)C(=C5)C(C)O)C)C(C)(C(C)O)O