Basic information
- Standard SMILES
CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CC(=O)OC)cn1- InChIKey
ZOCNPBZODMOPIV-UHFFFAOYSA-N- Molecular formula
- C22H28F2N4O4
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.20786171
Names & identifiers
- Preferred name
- 3-(4-[2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoylamino]-imidazol-1-yl)-3-methyl-butyric acid methyl ester
- IUPAC
- methyl 3-[4-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]imidazol-1-yl]-3-methylbutanoate
Names & synonyms
3-(4-[2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoylamino]-imidazol-1-yl)-3-methyl-butyric acid methyl ester3-(4-{2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoylamino}-imidazol-1-yl)-3-methyl-butyric acid methyl esterSCHEMBL1794938ZOCNPBZODMOPIV-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 11612121
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 654
Related reactions
4 records
Compound notes
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