(2R)-2-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylpentanoic acid
Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)cc1- InChIKey
VBVOTZYKYYEEMQ-GFCCVEGCSA-N- Molecular formula
- C13H19NO5S
- Average molar mass
- 301.36 g/mol
- Monoisotopic mass
- 301.09839388
Names & identifiers
- Preferred name
- (2R)-2-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylpentanoic acid
- IUPAC
- (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
Names & synonyms
SCHEMBL2161032VBVOTZYKYYEEMQ-GFCCVEGCSA-NEiM07-29945AKOS017437793N-[4-methoxybenzenesulfonyl]-(D)-leucine(2R)-2-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylpentanoic acid
Database identifiers
- PubChem CID
- 744873
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Related reactions
3 records
Compound notes
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