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(S)-6-(2-Hydroxy-2-methyl-propyl)-3-((S)-1-{4-[2-oxo-1-((S)-tetrahydro-furan-3-yl)-1,2-dihydro-pyridin-4-yl]-phenyl}-ethyl)-6-phenyl-[1,3]oxazinan-2-one

HCID 54771310
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C[C@@H](c1ccc(-c2ccn([C@H]3CCOC3)c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O
InChIKey
CELKYNNTHVPYLJ-RYRLNICXSA-N
Molecular formula
C31H36N2O5
Average molar mass
516.6 g/mol
Monoisotopic mass
516.26242225

Names & identifiers

Preferred name
(S)-6-(2-Hydroxy-2-methyl-propyl)-3-((S)-1-{4-[2-oxo-1-((S)-tetrahydro-furan-3-yl)-1,2-dihydro-pyridin-4-yl]-phenyl}-ethyl)-6-phenyl-[1,3]oxazinan-2-one
IUPAC
(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[2-oxo-1-[(3S)-oxolan-3-yl]-4-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

Names & synonyms

SCHEMBL12071188CELKYNNTHVPYLJ-RYRLNICXSA-N(S)-6-(2-Hydroxy-2-methyl-propyl)-3-((S)-1-{4-[2-oxo-1-((S)-tetrahydro-furan-3-yl)-1,2-dihydro-pyridin-4-yl]-phenyl}-ethyl)-6-phenyl-[1,3]oxazinan-2-one

Database identifiers

PubChem CID
54771310

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
79.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
38
Formal charge
0
Complexity
931

Related reactions

2 records
New reaction record
HRID 1426018 reaction equation
HRID 1426018As productuspto-grants-2015_01
HRID 1528628 reaction equation
HRID 1528628As productuspto-grants-2015_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes