Basic information
- Standard SMILES
COCCCCC(Nc1ccc(C(=O)NCCC(=O)O)cc1)c1oc2ccc(OC)cc2c1C- InChIKey
LVIMHVQNPVAOOE-UHFFFAOYSA-N- Molecular formula
- C26H32N2O6
- Average molar mass
- 468.5 g/mol
Names & identifiers
- Preferred name
- 3-{[(4-{[5-Methoxy-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)pentyl]amino}phenyl)carbonyl]amino}propanoic acid
- IUPAC
- 3-[[4-[[5-methoxy-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)pentyl]amino]benzoyl]amino]propanoic acid
Names & synonyms
SCHEMBL3402158LVIMHVQNPVAOOE-UHFFFAOYSA-N3-{[(4-{[5-methoxy-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)pentyl]amino}phenyl)carbonyl]amino}propanoic acid
Database identifiers
- PubChem CID
- 68628871
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 639
Related reactions
2 records
Compound notes
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