pyrrhocoricin protein, Pyrrhocoris apterus

Base Information

• Chemical Name: pyrrhocoricin protein, Pyrrhocoris apterus
• CAS No.: 156548-23-1
• Molecular Formula: C113H179 N33 O34
• Molecular Weight: 2543.83
• ChEMBL ID: CHEMBL405360
• Mol file: 156548-23-1.mol

Synonyms:pyrrhocoricin;pyrrhocoricin protein, Pyrrhocoris apterus;pyrrhocoricin, Pyrrhocoris apterus

Chemical Property of pyrrhocoricin protein, Pyrrhocoris apterus

Chemical Property:

• Density: 1.55±0.1 g/cm3(Predicted)
• XLogP3: -11.1
• Hydrogen Bond Donor Count: 35
• Hydrogen Bond Acceptor Count: 41
• Rotatable Bond Count: 75
• Exact Mass: 2543.3325747
• Heavy Atom Count: 180
• Complexity: 5850

Purity/Quality:

PYRRHOCORICIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)OC(=O)C2(CCCN2C(=O)C(CCCNC(=N)N)NC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(C(C)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)N)C(=O)C7CCCN7C(=O)C(CCCNC(=N)N)NC(=O)C8CCCN8C(=O)C(CC(C)C)N)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)OC(=O)[C@@]2(CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H]([C@@H](C)OC5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(=O)C)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)N)C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CC(C)C)N)N