Basic information
- CAS
5437-19-4- Standard SMILES
CC(=O)N(Cc1ccccc1)C(CC(=O)NCc1ccccc1)C(=O)O- InChIKey
MYTZAPGRBSAWPO-UHFFFAOYSA-N- Molecular formula
- C20H22N2O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.15795719
Names & identifiers
- Preferred name
- N~2~-Acetyl-N,N~2~-dibenzylasparagine
- IUPAC
- 2-[acetyl(benzyl)amino]-4-(benzylamino)-4-oxobutanoic acid
Names & synonyms
MLS0026378155437-19-4NSC231375CHEMBL2361522DTXSID20310719NSC5480HMS3078G05NSC-5480NSC-231375N~2~-Acetyl-N,N~2~-dibenzylasparagineSMR001547329
Database identifiers
- CAS
5437-19-4- PubChem CID
- 314152
- DTXSID
DTXSID20310719- ChEMBL
CHEMBL2361522
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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