Aspartyl-beta-methyl-tyrosyl-phenylalanyl-glycyl-tryptophyl-N-methyl-norleucyl-aspartyl-phenylalaninamide

Base Information

• Chemical Name: Aspartyl-beta-methyl-tyrosyl-phenylalanyl-glycyl-tryptophyl-N-methyl-norleucyl-aspartyl-phenylalaninamide
• CAS No.: 137442-16-1
• Molecular Formula: C56H68N10O13
• Molecular Weight: 1089.1983
• DSSTox Substance ID: DTXSID20160190
• Wikidata: Q83028555
• Mol file: 137442-16-1.mol

Synonyms:Asp-beta-CH2-Tyr-Phe-Gly-Trp-N-Ch2-Nle-Asp-Phe-amide;aspartyl-beta-methyl-tyrosyl-phenylalanyl-glycyl-tryptophyl-N-methyl-norleucyl-aspartyl-phenylalaninamide;SNF 8814;SNF-8814

Chemical Property of Aspartyl-beta-methyl-tyrosyl-phenylalanyl-glycyl-tryptophyl-N-methyl-norleucyl-aspartyl-phenylalaninamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1488.6°Cat760mmHg
• Flash Point: 854.1°C
• Density: 1.337g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 30
• Exact Mass: 1088.49673226
• Heavy Atom Count: 79
• Complexity: 2080

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)N(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=CC=C4)NC(=O)C(C(C)C5=CC=C(C=C5)O)NC(=O)C(CC(=O)O)N
• Isomeric SMILES: CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)N(C)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H]([C@H](C)C5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)O)N