Anabaenopeptin A

Base Information

• Chemical Name: Anabaenopeptin A
• CAS No.: 161897-73-0
• DSSTox Substance ID: DTXSID001046085
• Nikkaji Number: J1.789.863I
• Wikidata: Q75059707
• Metabolomics Workbench ID: 118236
• Mol file: 161897-73-0.mol

Synonyms:Anabaenopeptin A;161897-73-0;DTXSID001046085

Chemical Property of Anabaenopeptin A

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 843.41669104
• Heavy Atom Count: 61
• Complexity: 1480

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Anabaenopeptin
• Canonical SMILES: CC1C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1C)CCC2=CC=C(C=C2)O)C(C)C)NC(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)CC4=CC=CC=C4
• Isomeric SMILES: C[C@H]1C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C)CCC2=CC=C(C=C2)O)C(C)C)NC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)CC4=CC=CC=C4