3-(4-[2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoylamino]-imidazol-1-yl)-3-methyl-butyric acid methyl ester

HCID 11612121

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

Related reactions

4 records

Compound notes

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