Basic information
- Standard SMILES
COC[C@H](C)OC1=CC(=O)N([C@@H](CC2CCCC2)C(=O)Nc2ccn(CC(C)(C)O)n2)C1- InChIKey
YVVAJTZZGLZKLZ-LPHOPBHVSA-N- Molecular formula
- C23H36N4O5
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.26857026
Names & identifiers
- Preferred name
- (S)-3-cyclopentyl-N-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-2-[4-((S)-2-methoxy-1-methyl-ethoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-propionamide
- IUPAC
- (2S)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-oxo-2H-pyrrol-1-yl]propanamide
Names & synonyms
SCHEMBL1079692YVVAJTZZGLZKLZ-LPHOPBHVSA-N(S)-3-cyclopentyl-N-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-2-[4-((S)-2-methoxy-1-methyl-ethoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-propionamide
Database identifiers
- PubChem CID
- 44253199
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 692
Related reactions
1 records
Compound notes
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