Basic information
- Standard SMILES
COC(=O)C[C@H](NCc1ccccc1)C(=O)OCc1ccccc1- InChIKey
CVHXUCQSSQMSNB-KRWDZBQOSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-benzylamino-succinic acid 1-benzyl ester 4-methyl ester
- IUPAC
- 1-O-benzyl 4-O-methyl (2S)-2-(benzylamino)butanedioate
Names & synonyms
SCHEMBL2171165CVHXUCQSSQMSNB-KRWDZBQOSA-N(S)-2-benzylamino-succinic acid 1-benzyl ester 4-methyl ester
Database identifiers
- PubChem CID
- 67303755
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Related reactions
4 records
Compound notes
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