benzyl N~2~-[(benzyloxy)carbonyl]asparaginate
Basic information
- CAS
4668-39-7- Standard SMILES
NC(=O)CC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1- InChIKey
JBYVWMGAQVTMOK-UHFFFAOYSA-N- Molecular formula
- C19H20N2O5
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.13722174
Names & identifiers
- Preferred name
- benzyl N~2~-[(benzyloxy)carbonyl]asparaginate
- IUPAC
- benzyl 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
Names & synonyms
benzyl N~2~-[(benzyloxy)carbonyl]asparaginate4668-39-7benzyl 4-amino-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoateNSC173726benzyl 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoatebenzyl 3-carbamoyl-2-phenylmethoxycarbonylamino-propanoateDTXSID20306036STK525967AKOS005459295NSC-173726DS-010502
Database identifiers
- CAS
4668-39-7- PubChem CID
- 299879
- DTXSID
DTXSID20306036
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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