Cycloaspeptide D

Base Information

• Chemical Name: Cycloaspeptide D
• CAS No.: 691363-62-9
• Molecular Formula: C35H41 N5 O6
• Molecular Weight: 641.76
• DSSTox Substance ID: DTXSID601017571
• Metabolomics Workbench ID: 111778
• Nikkaji Number: J2.066.992F
• Wikidata: Q77385459
• Mol file: 691363-62-9.mol

Synonyms:cycloaspeptide D

Chemical Property of Cycloaspeptide D

Chemical Property:

• Melting Point: 186-189 °C
• Boiling Point: 968.7±65.0 °C(Predicted)
• PKA: 9.89±0.15(Predicted)
• PSA: 148.15000
• Density: 1.176±0.06 g/cm3(Predicted)
• LogP: 3.80430
• XLogP3: 4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 627.30568404
• Heavy Atom Count: 46
• Complexity: 1090

Purity/Quality:

98%Min ^*data from raw suppliers

CycloaspeptideD ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC2=CC=CC=C2C(=O)N1)CC3=CC=C(C=C3)O)C)C(C)C)CC4=CC=CC=C4)C
• Isomeric SMILES: C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC2=CC=CC=C2C(=O)N1)CC3=CC=C(C=C3)O)C)C(C)C)CC4=CC=CC=C4)C
• Uses: Cycloaspeptide D is a fungal metabolite from Penicillium ribeum. Cycloaspeptide A is an antibiotic peptide and antimalarial agent.