Basic information
- Standard SMILES
CC(NC/C=C/c1ccccc1)C(Cc1ccc(C(=O)Nc2ccccc2)o1)C(=O)OC(C)(C)C- InChIKey
LCGOOWUHKLVHDD-SDNWHVSQSA-N- Molecular formula
- C29H34N2O4
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl (2RS,3RS)-2-{5-(phenylcarbamoyl)-2-furylmethyl}-3-{(E)-3-phenyl-2-propenylamino}butanoate
- IUPAC
- tert-butyl 2-[[5-(phenylcarbamoyl)furan-2-yl]methyl]-3-[[(E)-3-phenylprop-2-enyl]amino]butanoate
Names & synonyms
LCGOOWUHKLVHDD-SDNWHVSQSA-Ntert-butyl (2RS,3RS)-2-{5-(phenylcarbamoyl)-2-furylmethyl}-3-{(E)-3-phenyl-2-propenylamino}butanoate
Database identifiers
- PubChem CID
- 86755319
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 689
Related reactions
1 records
Compound notes
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