2-{3-Allyl-4-[2-amino-3-(4-fluorophenyl)propionyl]-2-oxo-piperazin-1-yl}-3-naphthalen-2-yl-propionic acid methyl ester
Basic information
- Standard SMILES
C=CCC1C(=O)N(C(Cc2ccc3ccccc3c2)C(=O)OC)CCN1C(=O)C(N)Cc1ccc(F)cc1- InChIKey
YKVYTGFUQFTGOA-UHFFFAOYSA-N- Molecular formula
- C30H32FN3O4
- Average molar mass
- 517.6 g/mol
Names & identifiers
- Preferred name
- 2-{3-Allyl-4-[2-amino-3-(4-fluorophenyl)propionyl]-2-oxo-piperazin-1-yl}-3-naphthalen-2-yl-propionic acid methyl ester
- IUPAC
- methyl 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-prop-2-enylpiperazin-1-yl]-3-naphthalen-2-ylpropanoate
Names & synonyms
SCHEMBL5844639YKVYTGFUQFTGOA-UHFFFAOYSA-N2-{3-allyl-4-[2-amino-3-(4-fluorophenyl)propionyl]-2-oxo-piperazin-1-yl}-3-naphthalen-2-yl-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69587708
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 845
Related reactions
2 records
Compound notes
Loading…