L-Aspartamide, N-acetyl-L-tyrosyl-L-prolyl-N1-methyl-

Base Information

• Chemical Name: L-Aspartamide, N-acetyl-L-tyrosyl-L-prolyl-N1-methyl-
• CAS No.: 82867-72-9
• Molecular Formula: C21H29N5O6
• Molecular Weight: 447.4849
• DSSTox Substance ID: DTXSID901002979
• Wikidata: Q82997350
• Mol file: 82867-72-9.mol

Synonyms:L-Aspartamide, N-acetyl-L-tyrosyl-L-prolyl-N1-methyl-;DTXSID901002979;N-(1-Hydroxyethylidene)tyrosyl-N-(2-amino-4-hydroxy-4-iminobutanoyl)-N-methylprolinamide

Chemical Property of L-Aspartamide, N-acetyl-L-tyrosyl-L-prolyl-N1-methyl-

Chemical Property:

• Vapor Pressure: 6.39E-30mmHg at 25°C
• Boiling Point: 845.2°Cat760mmHg
• Flash Point: 465°C
• PSA: 170.93000
• Density: 1.345g/cm³
• LogP: 0.34750
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 447.21178366
• Heavy Atom Count: 32
• Complexity: 736

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)N(C)C(=O)C(CC(=O)N)N
• Isomeric SMILES: CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N(C)C(=O)[C@H](CC(=O)N)N