Adenoregulin

Base Information

• Chemical Name: Adenoregulin
• CAS No.: 149260-68-4
• Molecular Formula: C142H242 N40 O42
• Molecular Weight: 3181.68
• DSSTox Substance ID: DTXSID00164212
• Mol file: 149260-68-4.mol

Synonyms:adenoregulin;adenoregulin, Phyllomedusa bicolor;dermaseptin B-2, Phyllomedusa bicolor;dermaseptin B2, P bicolor;dermaseptin B2, Phyllomedusa bicolor;dermaseptin BII, Phyllomedusa bicolor

Chemical Property of Adenoregulin

Chemical Property:

• XLogP3: -16
• Hydrogen Bond Donor Count: 46
• Hydrogen Bond Acceptor Count: 49
• Rotatable Bond Count: 111
• Exact Mass: 3180.8063867
• Heavy Atom Count: 224
• Complexity: 7220

Purity/Quality:

>85% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(C)C)NC(=O)CN
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)CN

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