2-(4-Carbamoylanilino)-2-oxoethyl N-[(benzyloxy)(hydroxy)methylidene]phenylalaninate
Basic information
- CAS
5576-39-6- Standard SMILES
NC(=O)c1ccc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1- InChIKey
RDXDCEVAWBDTOD-UHFFFAOYSA-N- Molecular formula
- C26H25N3O6
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.17433553
Names & identifiers
- Preferred name
- 2-(4-Carbamoylanilino)-2-oxoethyl N-[(benzyloxy)(hydroxy)methylidene]phenylalaninate
- IUPAC
- [2-(4-carbamoylanilino)-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Names & synonyms
5576-39-6DTXSID909711392-(4-Carbamoylanilino)-2-oxoethyl N-[(benzyloxy)(hydroxy)methylidene]phenylalaninate
Database identifiers
- CAS
5576-39-6- PubChem CID
- 5212945
- DTXSID
DTXSID90971139
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 710
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Compound notes
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