Basic information
- Standard SMILES
CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC(=O)O)cc3)CC2)ccc1O- InChIKey
NVAVLMLMXNARGB-NRFANRHFSA-N- Molecular formula
- C22H29N3O6S
- Average molar mass
- 463.5 g/mol
Names & identifiers
- Preferred name
- (4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-phenyl)-acetic acid
- IUPAC
- 2-[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]phenyl]acetic acid
Names & synonyms
CHEMBL32640SCHEMBL6073664NVAVLMLMXNARGB-NRFANRHFSA-NBDBM50098665(4-{4-[(2R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-phenyl)-acetic acid(4-{4-[(2R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidine-1-yl}-phenyl)-acetic acid(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-phenyl)-acetic acid
Database identifiers
- PubChem CID
- 10718924
- ChEMBL
CHEMBL32640
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 699
Related reactions
2 records
Compound notes
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