Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)-

Base Information

• Chemical Name: Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)-
• CAS No.: 87270-38-0
• Molecular Formula: C23H23ClN2O5S
• Molecular Weight: 474.9571
• DSSTox Substance ID: DTXSID40236245
• Wikidata: Q76278571
• Mol file: 87270-38-0.mol

Synonyms:N-Indomethacyl-S-methylcysteine;Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)-;87270-38-0;L-Cysteine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-S-methyl-;N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)alanine;DTXSID40236245;C23-H23-Cl-N2-O5-S;LS-15938

Chemical Property of Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)-

Chemical Property:

• Vapor Pressure: 8.2E-20mmHg at 25°C
• Boiling Point: 686.9°Cat760mmHg
• Flash Point: 369.2°C
• PSA: 126.42000
• Density: 1.35g/cm³
• LogP: 4.61540
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 474.1016207
• Heavy Atom Count: 32
• Complexity: 687

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC(CSC)C(=O)O
• Isomeric SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N[C@@H](CSC)C(=O)O