NP-MRD: Showing NP-Card for (4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide (NP0320690)

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Record Information

Version

2.0

Created at

2022-09-11 22:29:13 UTC

Updated at

2022-09-11 22:29:14 UTC

NP-MRD ID

NP0320690

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide

Description

Psammaplysin E belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. (4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide is found in Pseudoceratina purpurea. Based on a literature review very few articles have been published on Psammaplysin E.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122200292D          

 42 45  0  0  1  0            999 V2000
   -5.4936    2.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8643    3.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6808    3.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8346    3.4697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309122200292D          

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    4.7744    0.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0599    1.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3454    0.8277    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951    2.1421    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8666    1.3351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  4  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  2  0  0  0  0
 26 38  1  0  0  0  0
 38 39  2  0  0  0  0
 22 39  1  0  0  0  0
 39 40  1  0  0  0  0
 14 41  1  0  0  0  0
  7 41  1  0  0  0  0
 41 42  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0320690

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(Br)C[C@@]2(ON=C([C@@H]2O)C(=O)NCCCOC2=C(Br)C=C(CCN=CC3=C(O)C=CC3=O)C=C2Br)OC=C1Br

> <INCHI_IDENTIFIER>
InChI=1S/C27H25Br4N3O8/c1-39-23-18(30)11-27(41-13-19(23)31)25(37)22(34-42-27)26(38)33-6-2-8-40-24-16(28)9-14(10-17(24)29)5-7-32-12-15-20(35)3-4-21(15)36/h3-4,9-10,12-13,25,35,37H,2,5-8,11H2,1H3,(H,33,38)/t25-,27-/m0/s1

> <INCHI_KEY>
NJGYGBOCBNKMDH-BDYUSTAISA-N

> <FORMULA>
C27H25Br4N3O8

> <MOLECULAR_WEIGHT>
839.126

> <EXACT_MASS>
834.837517

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
69.22714150557813

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S,5S)-8,10-dibromo-N-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide

> <JCHEM_LOGP>
4.092790629666665

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.73848911486336

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.234764699935843

> <JCHEM_PKA_STRONGEST_BASIC>
4.351783961258125

> <JCHEM_POLAR_SURFACE_AREA>
148.26999999999998

> <JCHEM_REFRACTIVITY>
171.54200000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4S,5S)-8,10-dibromo-N-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0     -10.255   5.080   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -9.080   6.076   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -7.630   5.556   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.533   6.637   0.000  0.00  0.00           C+0
HETATM    5 Br   UNK     0      -7.031   8.094   0.000  0.00  0.00          Br+0
HETATM    6  C   UNK     0      -5.004   6.453   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.195   5.143   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -4.714   3.693   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -6.171   3.196   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.469   4.025   0.000  0.00  0.00           C+0
HETATM   11 Br   UNK     0      -8.779   3.215   0.000  0.00  0.00          Br+0
HETATM   12  O   UNK     0      -3.425   6.477   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0      -1.918   6.157   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      -1.757   4.625   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.424   3.855   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.424   2.315   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0       0.910   4.625   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       2.244   3.855   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.577   4.625   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.911   3.855   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.245   4.625   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       7.578   3.855   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.912   4.625   0.000  0.00  0.00           C+0
HETATM   24 Br   UNK     0       8.912   6.165   0.000  0.00  0.00          Br+0
HETATM   25  C   UNK     0      10.246   3.855   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.246   2.315   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.579   1.545   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.913   2.315   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      14.247   1.545   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      15.581   2.315   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.914   1.545   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      18.321   2.171   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      18.641   3.678   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      19.352   1.027   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      18.582  -0.307   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      17.075   0.013   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      15.931  -1.017   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       8.912   1.545   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.578   2.315   0.000  0.00  0.00           C+0
HETATM   40 Br   UNK     0       6.245   1.545   0.000  0.00  0.00          Br+0
HETATM   41  C   UNK     0      -3.164   3.999   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -3.484   2.492   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   12   41                                             
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10                                                            
CONECT   12    7   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   41                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   39                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   38                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   31   37                                                  
CONECT   37   36                                                            
CONECT   38   26   39                                                       
CONECT   39   38   22   40                                                  
CONECT   40   39                                                            
CONECT   41   14    7   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₂₅Br₄N₃O₈

Average Mass

839.1260 Da

Monoisotopic Mass

834.83752 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(Br)C[C@@]2(ON=C([C@@H]2O)C(=O)NCCCOC2=C(Br)C=C(CCN=CC3=C(O)C=CC3=O)C=C2Br)OC=C1Br

InChI Identifier

InChI=1S/C27H25Br4N3O8/c1-39-23-18(30)11-27(41-13-19(23)31)25(37)22(34-42-27)26(38)33-6-2-8-40-24-16(28)9-14(10-17(24)29)5-7-32-12-15-20(35)3-4-21(15)36/h3-4,9-10,12-13,25,35,37H,2,5-8,11H2,1H3,(H,33,38)/t25-,27-/m0/s1

InChI Key

NJGYGBOCBNKMDH-BDYUSTAISA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Pseudoceratina purpurea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenol ethers

Sub Class

Not Available

Direct Parent

Phenol ethers

Alternative Parents

Substituents

Phenoxy compound
Phenol ether
Halobenzene
Bromobenzene
Alkyl aryl ether
Monocyclic benzene moiety
Aryl halide
Aryl bromide
Vinylogous acid
Isoxazoline
Cyclic ketone
Shiff base
Secondary carboxylic acid amide
Secondary alcohol
Oxime ether
Ketone
Carboxamide group
Oxacycle
Azacycle
Bromoalkene
Haloalkene
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Vinyl halide
Vinyl bromide
Ether
Enol
Carboxylic acid derivative
Aldimine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organobromide
Organohalogen compound
Imine
Carbonyl group
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

136237967

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide (NP0320690)

MOL for NP0320690 ((4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide)

3D MOL for NP0320690 ((4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide)

3D SDF for NP0320690 ((4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide)

3D-SDF for NP0320690 ((4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide)

PDB for NP0320690 ((4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide)

3D PDB for NP0320690 ((4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide)

SMILES for NP0320690 ((4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide)

INCHI for NP0320690 ((4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide)

Structure for NP0320690 ((4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide)

3D Structure for NP0320690 ((4s,5s)-8,10-dibromo-n-{3-[2,6-dibromo-4-(2-{[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylidene]amino}ethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide)