1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate
3-formamido-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
Also Known As: Pirisudanol|EINECS 251-590-3|methyl n-formyl-|A-aspartylphenylalaninate|1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate|3-formamido-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid|4-Hydroxy-3-[(hydroxymethylidene)amino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]butanoic acid
| Molecular Formula | C15H18N2O6 |
|---|---|
| Molecular Weight | 322.1165 g/mol |
| LogP | -0.52 |
| Topological Polar Surface Area | 121.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.1165 |
| Heavy Atoms | 23 |
| Complexity | 560.3 |
Chemical Identifiers
| CAS Number | 33605-76-4 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC=O |
Product Overview
1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate (CAS 33605-76-4), with molecular formula C15H18N2O6 and molecular weight 322.1165 g/mol. IUPAC: 3-formamido-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid.
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