Basic information
- Standard SMILES
COc1ccc2oc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]3C[C@H](C)CN(S(=O)(=O)c4ccccn4)CC3=O)cc2c1- InChIKey
SWLUYNCBZBOISE-NYVOZVTQSA-N- Molecular formula
- C28H34N4O7S
- Average molar mass
- 570.7 g/mol
Names & identifiers
- Preferred name
- 5-Methoxy-benzofuran-2-carboxylic acid {(S)-3-methyl-1-[(4S,6S)-6-methyl-3-oxo-1-(pyridine-2-sulfonyl)-azepan-4-ylcarbamoyl]-butyl}-amide
- IUPAC
- 5-methoxy-N-[(2S)-4-methyl-1-[[(4S,6S)-6-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL6841340SWLUYNCBZBOISE-NYVOZVTQSA-N5-Methoxy-benzofuran-2-carboxylic acid {(S)-3-methyl-1-[(4S,6S)-6-methyl-3-oxo-1-(pyridine-2-sulfonyl)-azepan-4-ylcarbamoyl]-butyl}-amide
Database identifiers
- PubChem CID
- 9872824
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
2 records
Compound notes
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