Pyroglutamyl-valyl-prolyl-glutaminyl-tryptophyl-alanyl-valyl-glycyl-histidyl-phenylalanyl-methionylamide

Base Information

• Chemical Name: Pyroglutamyl-valyl-prolyl-glutaminyl-tryptophyl-alanyl-valyl-glycyl-histidyl-phenylalanyl-methionylamide
• CAS No.: 29451-71-6
• Molecular Formula: C61H84N16O13S
• Molecular Weight: 1281.4841
• Mol file: 29451-71-6.mol

Synonyms:pyro-Glu-Val-Pro-Gln-Trp-Ala-Val-Gly-His-Phe-Met-amide;pyroglutamyl-valyl-prolyl-glutaminyl-tryptophyl-alanyl-valyl-glycyl-histidyl-phenylalanyl-methionylamide;ranatensin

Chemical Property of Pyroglutamyl-valyl-prolyl-glutaminyl-tryptophyl-alanyl-valyl-glycyl-histidyl-phenylalanyl-methionylamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.607
• Boiling Point: 1790.5 °C at 760 mmHg
• Flash Point: 1036.6 °C
• PSA: 467.26000
• Density: 1.326 g/cm³
• LogP: 3.20430
• Storage Temp.: −20°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 34
• Exact Mass: 1280.61244797
• Heavy Atom Count: 91
• Complexity: 2590

Purity/Quality:

99% ^*data from raw suppliers

Ranatensin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(C(=O)NCC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C5CCCN5C(=O)C(C(C)C)NC(=O)C6CCC(=O)N6
• Isomeric SMILES: C[C@@H](C(=O)NC(C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)C(C(C)C)NC(=O)C6CCC(=O)N6