Basic information
- Standard SMILES
CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2ccn(CCC(=O)O)n2)cc1Cl- InChIKey
PASGEMGQJRAJKH-MRXNPFEDSA-N- Molecular formula
- C21H26ClN3O5S
- Average molar mass
- 468 g/mol
Names & identifiers
- Preferred name
- 3-{3-[2(R)-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionylamino]-pyrazol-1-yl}-propionic acid
- IUPAC
- 3-[3-[[(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]propanoic acid
Names & synonyms
SCHEMBL1862402PASGEMGQJRAJKH-MRXNPFEDSA-N3-{3-[2(R)-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionylamino]-pyrazol-1-yl}-propionic acid
Database identifiers
- PubChem CID
- 67190503
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 738
Related reactions
17 records
Compound notes
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