N-(2-(Benzoylamino)-3-phenylacryloyl)tryptophan

Base Information

• Chemical Name: N-(2-(Benzoylamino)-3-phenylacryloyl)tryptophan
• CAS No.: 5252-61-9
• Molecular Formula: C27H23N3O4
• Molecular Weight: 453.5
• NSC Number: 690955
• DSSTox Substance ID: DTXSID30416756
• ChEMBL ID: CHEMBL1998081

Synonyms:NSC690955;N-(2-(Benzoylamino)-3-phenylacryloyl)tryptophan;5252-61-9;2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid;CHEMBL1998081;DTXSID30416756;NSC-690955;BIM-0015605.P001;2-[[(Z)-2-benzamido-3-phenyl-prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Chemical Property of N-(2-(Benzoylamino)-3-phenylacryloyl)tryptophan

Chemical Property:

• Vapor Pressure: 1.06E-29mmHg at 25°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 453.16885622
• Heavy Atom Count: 34
• Complexity: 755

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=C(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4=CC=CC=C4
• Isomeric SMILES: C1=CC=C(C=C1)/C=C(/C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)\NC(=O)C4=CC=CC=C4

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