(r)-3-((s)-2-(4,4-Dimethyl-3-(4-(2-phenylethyl)benzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetylamino)-3-methylpropionic acid
Basic information
- Standard SMILES
CC(C)C[C@@H](C(=O)N[C@H](C)CC(=O)O)N1C(=O)N(Cc2ccc(CCc3ccccc3)cc2)C(C)(C)C1=O- InChIKey
WKACNHANQPTFQU-BWKNWUBXSA-N- Molecular formula
- C30H39N3O5
- Average molar mass
- 521.6 g/mol
- Monoisotopic mass
- 521.28897135
Names & identifiers
- Preferred name
- (r)-3-((s)-2-(4,4-Dimethyl-3-(4-(2-phenylethyl)benzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetylamino)-3-methylpropionic acid
- IUPAC
- (3R)-3-[[(2S)-2-[4,4-dimethyl-2,5-dioxo-3-[[4-(2-phenylethyl)phenyl]methyl]imidazolidin-1-yl]-4-methylpentanoyl]amino]butanoic acid
Names & synonyms
SCHEMBL7269565WKACNHANQPTFQU-BWKNWUBXSA-N(r)-3-((s)-2-(4,4-dimethyl-3-(4-(2-phenylethyl)benzyl)-2,5-dioxoimidazolidin-1-yl)-2-(2-methylpropyl)acetylamino)-3-methylpropionic acid
Database identifiers
- PubChem CID
- 9828091
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 843
Related reactions
1 records
Compound notes
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