(4-methyl-2-oxochromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Base Information

• Chemical Name: (4-methyl-2-oxochromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
• CAS No.: 99678-18-9
• Molecular Formula: C27H23 N O6
• Molecular Weight: 457.47
• DSSTox Substance ID: DTXSID10912549
• Wikidata: Q82882850
• Mol file: 99678-18-9.mol

Synonyms:benzyloxycarbonyl-phenylalanine 4-methylcoumaryl-7-ester;benzyloxycarbonylphenylalanine 4-methylcoumaryl-7-ester;CBZ-Phe-OMC;N-benzoxycarbonylphenylalanine 4-methylumbelliferyl ester;Z-Phe-OMC

Chemical Property of (4-methyl-2-oxochromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Chemical Property:

• Vapor Pressure: 4.57E-18mmHg at 25°C
• Boiling Point: 674.8°Cat760mmHg
• Flash Point: 361.9°C
• Density: 1.283g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 457.15253745
• Heavy Atom Count: 34
• Complexity: 752

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

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