Basic information
- Standard SMILES
Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCC(=O)O)Cc2ccc(Cl)cc2)c1- InChIKey
GLHKVZVDYLEBMZ-UHFFFAOYSA-N- Molecular formula
- C25H29ClN2O4
- Average molar mass
- 457 g/mol
- Monoisotopic mass
- 456.1815851
Names & identifiers
- Preferred name
- 3-((4-Chloro-benzyl)-{1-[2-(3,5-dimethyl-phenyl)-acetyl]-2-methyl-azetidine-2-carbonyl}-amino)-propionic acid
- IUPAC
- 3-[(4-chlorophenyl)methyl-[1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carbonyl]amino]propanoic acid
Names & synonyms
SCHEMBL11301579GLHKVZVDYLEBMZ-UHFFFAOYSA-N3-((4-chloro-benzyl)-{1-[2-(3,5-dimethyl-phenyl)-acetyl]-2-methyl-azetidine-2-carbonyl}-amino)-propionic acid
Database identifiers
- PubChem CID
- 70558786
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 683
Related reactions
1 records
Compound notes
Loading…