Bradykinin, thr(6)-

Base Information

• Chemical Name: Bradykinin, thr(6)-
• CAS No.: 6120-63-4
• Molecular Formula: C51H75N15O11
• Molecular Weight: 1074.24
• DSSTox Substance ID: DTXSID50210117
• Nikkaji Number: J533.161G
• Mol file: 6120-63-4.mol

Synonyms:6-Thr-bradykinin;Arg-Pro-Pro-Gly-Phe-Thr-Pro-Phe-Arg;bradykinin, Thr(6)-;bradykinin, threonine(6)-

Chemical Property of Bradykinin, thr(6)-

Chemical Property:

• Refractive Index: 1.688
• PKA: 3.34±0.10(Predicted)
• PSA: 413.78000
• Density: 1.48 g/cm³
• LogP: 1.66980
• Storage Temp.: -15°C
• XLogP3: -4.3
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 27
• Exact Mass: 1073.57704827
• Heavy Atom Count: 77
• Complexity: 2110

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)C4CCCN4C(=O)C5CCCN5C(=O)C(CCCN=C(N)N)N)O
• Isomeric SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)N)O