Basic information
- Standard SMILES
CCOc1cccc(OC2=CC(=O)N([C@@H](CC(C)C)C(=O)Nc3ccn(C[C@@H](O)CO)n3)C2)c1- InChIKey
WWCSZKVJSUVXPL-UTKZUKDTSA-N- Molecular formula
- C24H32N4O6
- Average molar mass
- 472.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-[4-(3-Ethoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid [1-((R)-2,3-dihydroxy-propyl)-1H-pyrazol-3-yl]-amide
- IUPAC
- (2S)-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-[3-(3-ethoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanamide
Names & synonyms
SCHEMBL1080381WWCSZKVJSUVXPL-UTKZUKDTSA-N(S)-2-[4-(3-Ethoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid [1-((R)-2,3-dihydroxy-propyl)-1H-pyrazol-3-yl]-amide
Database identifiers
- PubChem CID
- 57920175
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 718
Related reactions
1 records
Compound notes
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