N-[2-(benzoylamino)-3-(4-fluorophenyl)acryloyl]tryptophan

Base Information

• Chemical Name: N-[2-(benzoylamino)-3-(4-fluorophenyl)acryloyl]tryptophan
• CAS No.: 6428-72-4
• Molecular Formula: C27H22FN3O4
• Molecular Weight: 471.4797
• DSSTox Substance ID: DTXSID70417646
• ChEMBL ID: CHEMBL1864618

Synonyms:6428-72-4;N-[2-(benzoylamino)-3-(4-fluorophenyl)acryloyl]tryptophan;2-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid;AC1NRYIV;MLS000676413;CHEMBL1864618;DTXSID70417646;SMR000298425;N-[(2Z)-2-(benzoylamino)-3-(4-fluorophenyl)prop-2-enoyl]tryptophan

Chemical Property of N-[2-(benzoylamino)-3-(4-fluorophenyl)acryloyl]tryptophan

Chemical Property:

• Vapor Pressure: 1.76E-29mmHg at 25°C
• Boiling Point: 833.8°Cat760mmHg
• Flash Point: 458°C
• Density: 1.375g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 471.15943435
• Heavy Atom Count: 35
• Complexity: 789

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)F)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)F)/C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

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