Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc1- InChIKey
MMAMULOKFLYVHG-LLVKDONJSA-N- Molecular formula
- C12H17NO5S
- Average molar mass
- 287.33 g/mol
Names & identifiers
- Preferred name
- N-[4-methoxybenzenesulfonyl]-(D)-valine
- IUPAC
- (2R)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
Names & synonyms
SCHEMBL2161549MMAMULOKFLYVHG-LLVKDONJSA-NEiM07-29944AKOS017539624N-[4-methoxybenzenesulfonyl]-(D)-valine2(R)-(4-methoxy-benzenesulfonylamino)-3-methylbutyric acid2(R)-(4-methoxybenzenesulfonylamino)-3-methylbutyric acid
Database identifiers
- PubChem CID
- 1133588
- Nikkaji
- J2.210.422E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Related reactions
23 records
Compound notes
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