cycloaspeptide A

Base Information

• Chemical Name: cycloaspeptide A
• CAS No.: 109171-13-3
• Molecular Formula: C36H43 N5 O6
• Molecular Weight: 641.767
• ChEMBL ID: CHEMBL473074
• DSSTox Substance ID: DTXSID001017535
• Metabolomics Workbench ID: 105303
• Nikkaji Number: J2.066.993D
• Wikidata: Q77518564
• Mol file: 109171-13-3.mol

Synonyms:cycloaspeptide A

Chemical Property of cycloaspeptide A

Chemical Property:

• PSA: 148.15000
• LogP: 3.80430
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 641.32133411
• Heavy Atom Count: 47
• Complexity: 1100

Purity/Quality:

CycloaspeptideA ^*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)CC(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)CC(C)C)CC4=CC=CC=C4)C