Basic information
- Standard SMILES
CCCC(NC(=O)C(O)C(C)(C)C)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1- InChIKey
NLJQROLUNYNKMV-UHFFFAOYSA-N- Molecular formula
- C22H39N5O3
- Average molar mass
- 421.6 g/mol
Names & identifiers
- Preferred name
- 2-(2-Hydroxy-3,3-dimethyl-butyrylamino)-pentanoic acid [1-(1,1-dimethyl-2-pyrrolidin-1-yl-ethyl)-1H-imidazol-4-yl]-amide
- IUPAC
- 2-hydroxy-3,3-dimethyl-N-[1-[[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]butanamide
Names & synonyms
SCHEMBL1793636NLJQROLUNYNKMV-UHFFFAOYSA-N2-(2-Hydroxy-3,3-dimethyl-butyrylamino)-pentanoic acid [1-(1,1-dimethyl-2-pyrrolidin-1-yl-ethyl)-1H-imidazol-4-yl]-amide
Database identifiers
- PubChem CID
- 11567987
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 584
Related reactions
4 records
Compound notes
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