Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)cc1- InChIKey
YTJWMINQNUOLBQ-SECBINFHSA-N- Molecular formula
- C11H14N2O6S
- Average molar mass
- 302.31 g/mol
Names & identifiers
- Preferred name
- N-[4-methoxybenzenesulfonyl]-(D)-asparagine
- IUPAC
- (2R)-4-amino-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoic acid
Names & synonyms
SCHEMBL7341150YTJWMINQNUOLBQ-SECBINFHSA-NN-[4-methoxybenzenesulfonyl]-(D)-asparagine
Database identifiers
- PubChem CID
- 27014145
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 450
Related reactions
8 records
Compound notes
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