(S)-6-(2-amino-2-methylpropyl)-3-((S)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC(C)(C)N)(c2ccccc2)OC1=O- InChIKey
MOBVQDPQNICMOF-MMTVBGGISA-N- Molecular formula
- C28H33N3O3
- Average molar mass
- 459.6 g/mol
Names & identifiers
- Preferred name
- (S)-6-(2-amino-2-methylpropyl)-3-((S)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6S)-6-(2-amino-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL117451CHEMBL3664637MOBVQDPQNICMOF-MMTVBGGISA-NBDBM107579US8575157, 7(S)-6-(2-amino-2-methylpropyl)-3-((S)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635681
- ChEMBL
CHEMBL3664637
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 821
Related reactions
12 records
Compound notes
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