Basic information
- Standard SMILES
Cc1oc(=O)oc1COC(=O)[C@H](O)C[C@H](N)Cc1ccc(-c2cccc(Cl)c2)cc1- InChIKey
FDFBRJBHVCQCDK-RTBURBONSA-N- Molecular formula
- C22H22ClNO6
- Average molar mass
- 431.9 g/mol
- Monoisotopic mass
- 431.1135651
Names & identifiers
- Preferred name
- (2R,4R)-4-Amino-5-(3'-chlorobiphenyl-4-yl)-2-hydroxypentanoic acid 5-methyl-2-oxo[1,3]dioxol-4-ylmethyl ester
- IUPAC
- (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
Names & synonyms
SCHEMBL14890861FDFBRJBHVCQCDK-RTBURBONSA-N(2R,4R)-4-Amino-5-(3'-chlorobiphenyl-4-yl)-2-hydroxypentanoic acid 5-methyl-2-oxo[1,3]dioxol-4-ylmethyl ester
Database identifiers
- PubChem CID
- 86705143
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 646
Related reactions
3 records
Compound notes
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