8-Guanidinooctanoyl-asp-2-(4-methoxyphenyl)ethylamide

Base Information

• Chemical Name: 8-Guanidinooctanoyl-asp-2-(4-methoxyphenyl)ethylamide
• CAS No.: 126631-86-5
• Molecular Formula: C22H35 N5 O5
• Molecular Weight: 449.54
• DSSTox Substance ID: DTXSID30155259
• Nikkaji Number: J557.434J
• Mol file: 126631-86-5.mol

Synonyms:3-((((8-aminoiminomethyl)amino)-1-oxooctyl)amino)4-(2-(4-methoxyphenyl)ethyl)amino-4-oxobutanoic acid;8-guanidinooctanoyl-Asp-2-(4-methoxyphenyl)ethylamide;SC 47643;SC-47643

Chemical Property of 8-Guanidinooctanoyl-asp-2-(4-methoxyphenyl)ethylamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 173.61000
• Density: 1.24g/cm³
• LogP: 4.00860
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 16
• Exact Mass: 449.26381923
• Heavy Atom Count: 32
• Complexity: 602

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCNC(=O)C(CC(=O)O)NC(=O)CCCCCCCN=C(N)N
• Isomeric SMILES: COC1=CC=C(C=C1)CCNC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCN=C(N)N