Basic information
- Standard SMILES
CC(C)C[C@H](C(N)=O)N(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1- InChIKey
BFFDDERCXVNLNR-GFCCVEGCSA-N- Molecular formula
- C14H19ClN2O5S
- Average molar mass
- 362.8 g/mol
Names & identifiers
- Preferred name
- {N-[(1R)-1-Carbamoyl-3-methyl-butyl]-N-(4-chlorobenzenesulfonyl)amino}acetic acid
- IUPAC
- 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-(4-chlorophenyl)sulfonylamino]acetic acid
Names & synonyms
SCHEMBL1875811BFFDDERCXVNLNR-GFCCVEGCSA-N{N-[(1R)-1-Carbamoyl-3-methyl-butyl]-N-(4-chlorobenzenesulfonyl)amino}acetic acid{N-[(IR)-1-Carbamoyl-3-methyl-butyl]-N-(4-chlorobenzenesulfonyl)amino}acetic acid
Database identifiers
- PubChem CID
- 59001083
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 524
Related reactions
6 records
Compound notes
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