Tyrosine, N-[[1-cyclohexyl-2-(3-furanyl)-1H-benzimidazol-5-yl]carbonyl]-3,5-difluoro-
Basic information
- Standard SMILES
O=C(NC(Cc1cc(F)c(O)c(F)c1)C(=O)O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1- InChIKey
NCVBDQOSPXFUEK-UHFFFAOYSA-N- Molecular formula
- C27H25F2N3O5
- Average molar mass
- 509.5 g/mol
- Monoisotopic mass
- 509.17622723
Names & identifiers
- Preferred name
- Tyrosine, N-[[1-cyclohexyl-2-(3-furanyl)-1H-benzimidazol-5-yl]carbonyl]-3,5-difluoro-
- IUPAC
- 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(3,5-difluoro-4-hydroxyphenyl)propanoic acid
Names & synonyms
SCHEMBL5122396NCVBDQOSPXFUEK-UHFFFAOYSA-NTyrosine, N-[[1-cyclohexyl-2-(3-furanyl)-1H-benzimidazol-5-yl]carbonyl]-3,5-difluoro-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(3,5-difluoro-4-hydroxy-phenyl)propanoic acidRacemic 2-{[1-(1-Cyclohexyl-2-furan-3-yl-1H-benzimidazol-5-yl)-methanoyl]-amino}-3-(3,5-difluoro-4-hydroxy-phenyl)-propionic acid
Database identifiers
- PubChem CID
- 490790
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 803
Related reactions
2 records
Compound notes
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