Basic information
- Standard SMILES
C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)C(=O)O- InChIKey
JOQQCSNVBMQZTP-CFNGDTMJSA-N- Molecular formula
- C22H24N2O7
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.15835111
Names & identifiers
- Preferred name
- N-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-alanine
- IUPAC
- (3S)-2-benzyl-4-[[(1R)-1-carboxyethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Names & synonyms
SCHEMBL7757920JOQQCSNVBMQZTP-CFNGDTMJSA-Nbeta-benzyl-N-benzyloxycarbonyl-L-aspartyl-D-alanineN-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-alanineNalpha -benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-alanine
Database identifiers
- PubChem CID
- 53966575
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 627
Related reactions
7 records
Linked notes
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