Cyclo(L-alanyl-L-prolyl-D-phenylalanyl-L-alanyl-L-prolyl-D-phenylalanyl)

Base Information

• Chemical Name: Cyclo(L-alanyl-L-prolyl-D-phenylalanyl-L-alanyl-L-prolyl-D-phenylalanyl)
• CAS No.: 52634-26-1
• Molecular Formula: C34H42N6O6
• Molecular Weight: 630.73
• Mol file: 52634-26-1.mol

Synonyms:cyclo(Ala-Pro-Phe)2;cyclo(alanyl-prolyl-phenylalanyl)2

Chemical Property of Cyclo(L-alanyl-L-prolyl-D-phenylalanyl-L-alanyl-L-prolyl-D-phenylalanyl)

Chemical Property:

• Boiling Point: 1028.8±65.0 °C(Predicted)
• PKA: 13.10±0.70(Predicted)
• PSA: 0.00000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 0.00000
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 630.31658308
• Heavy Atom Count: 46
• Complexity: 1060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)N1)CC4=CC=CC=C4)C)CC5=CC=CC=C5
• Isomeric SMILES: C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(=O)N1)CC4=CC=CC=C4)C)CC5=CC=CC=C5