Conus magus toxin

Base Information

• Chemical Name: Conus magus toxin
• CAS No.: 107407-86-3
• Molecular Formula: C102H178 N36 O32 S7
• Molecular Weight: 2645.18172
• DSSTox Substance ID: DTXSID70148044
• Mol file: 107407-86-3.mol

Synonyms:Conus magus toxin;omega-CmTX;omega-conotoxin (Conus magus)

Chemical Property of Conus magus toxin

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: -15.8
• Hydrogen Bond Donor Count: 48
• Hydrogen Bond Acceptor Count: 46
• Rotatable Bond Count: 94
• Exact Mass: 2644.1486407
• Heavy Atom Count: 177
• Complexity: 5360

Purity/Quality:

CONUS MAGUS TOXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CS)C(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CS)N
• Isomeric SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)N)O