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Basic information
- Standard SMILES
O=C(NC(Cc1ccc(C(=O)O)c(F)c1)C(=O)O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1- InChIKey
LTOAFZUEWAPTGC-UHFFFAOYSA-N- Molecular formula
- C28H26FN3O6
- Average molar mass
- 519.5 g/mol
Names & identifiers
- Preferred name
- Phenylalanine, 4-carboxy-N-[[1-cyclohexyl-2-(3-furanyl)-1H-benzimidazol-5-yl]carbonyl]-3-fluoro-
- IUPAC
- 4-[2-carboxy-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]ethyl]-2-fluorobenzoic acid
Names & synonyms
SCHEMBL5116328LTOAFZUEWAPTGC-UHFFFAOYSA-N4-[2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-hydroxy-3-oxo-propyl]-2-fluoro-benzoic acidPhenylalanine, 4-carboxy-N-[[1-cyclohexyl-2-(3-furanyl)-1H-benzimidazol-5-yl]carbonyl]-3-fluoro-Racemic 4-(2-Carboxy-2-{[1-(1-cyclohexyl-2-furan-3-yl-1H-benzimidazol-5-yl)-methanoyl]-amino}-ethyl)-2-fluoro-benzoic acid
Database identifiers
- PubChem CID
- 490785
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 870
Related reactions
2 records
Compound notes
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