(S)-2-{[6-(2-Methoxy-ethoxy)-5-piperidin-1-yl-pyrazine-2-carbonyl]-amino}-4-methyl-pentanoic acid methyl ester
Basic information
- Standard SMILES
COCCOc1nc(C(=O)N[C@@H](CC(C)C)C(=O)OC)cnc1N1CCCCC1- InChIKey
DEUQHGPBOSYEOA-HNNXBMFYSA-N- Molecular formula
- C20H32N4O5
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-{[6-(2-Methoxy-ethoxy)-5-piperidin-1-yl-pyrazine-2-carbonyl]-amino}-4-methyl-pentanoic acid methyl ester
- IUPAC
- methyl (2S)-2-[[6-(2-methoxyethoxy)-5-piperidin-1-ylpyrazine-2-carbonyl]amino]-4-methylpentanoate
Names & synonyms
SCHEMBL3251860DEUQHGPBOSYEOA-HNNXBMFYSA-N(S)-2-{[6-(2-Methoxy-ethoxy)-5-piperidin-1-yl-pyrazine-2-carbonyl]-amino}-4-methyl-pentanoic acid methyl ester
Database identifiers
- PubChem CID
- 24831736
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 513
Related reactions
1 records
Compound notes
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