NP-MRD: Showing NP-Card for (5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide (NP0274245)

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Record Information

Version

2.0

Created at

2022-09-08 21:34:15 UTC

Updated at

2022-09-08 21:34:15 UTC

NP-MRD ID

NP0274245

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

Description

(5R,10S)-7,9-dibromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]Deca-2,6,8-triene-3-carboxamide belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. (5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide is found in Pseudoceratina purpurea. Based on a literature review very few articles have been published on (5R,10S)-7,9-dibromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]Deca-2,6,8-triene-3-carboxamide.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309082223342D          

 35 37  0  0  1  0            999 V2000
  -13.9481    8.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1276    7.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7921    7.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9716    7.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4867    7.7940    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -11.6360    6.3729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.8156    6.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1210    5.7054    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.9414    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2770    6.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0975    6.6316    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -11.3140    5.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2278    4.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5133    4.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5133    3.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7988    4.7134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0843    4.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3699    4.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6554    4.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9409    4.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2265    4.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5120    4.7134    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2265    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5120    3.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7975    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0830    3.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3686    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6541    3.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9396    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6541    2.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9409    3.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9409    2.2384    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -7.6554    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9814    4.3779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5335    4.9910    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  1  0  0  0
  6  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
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 19 33  1  0  0  0  0
 13 34  2  0  0  0  0
 34 35  1  0  0  0  0
  8 35  1  6  0  0  0
M  END


  Mrv1652309082223342D          

 35 37  0  0  1  0            999 V2000
  -13.9481    8.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1276    7.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7921    7.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9716    7.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4867    7.7940    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -11.6360    6.3729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.8156    6.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1210    5.7054    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.9414    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2770    6.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0975    6.6316    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -11.3140    5.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2278    4.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5133    4.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5133    3.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7988    4.7134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0843    4.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3699    4.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6554    4.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9409    4.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2265    4.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5120    4.7134    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2265    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5120    3.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7975    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0830    3.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3686    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6541    3.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9396    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6541    2.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9409    3.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9409    2.2384    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -7.6554    3.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9814    4.3779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5335    4.9910    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  1  0  0  0
  6  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
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 19 33  1  0  0  0  0
 13 34  2  0  0  0  0
 34 35  1  0  0  0  0
  8 35  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0274245

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(Br)[C@@H](O)[C@@]2(CC(=NO2)C(=O)NCCC2=CC(Br)=C(OCCCN(C)C)C(Br)=C2)C=C1Br

> <INCHI_IDENTIFIER>
InChI=1S/C23H27Br4N3O5/c1-30(2)7-4-8-34-19-14(24)9-13(10-15(19)25)5-6-28-22(32)17-12-23(35-29-17)11-16(26)20(33-3)18(27)21(23)31/h9-11,21,31H,4-8,12H2,1-3H3,(H,28,32)/t21-,23+/m1/s1

> <INCHI_KEY>
OICOETMYMSEQCY-GGAORHGYSA-N

> <FORMULA>
C23H27Br4N3O5

> <MOLECULAR_WEIGHT>
745.101

> <EXACT_MASS>
740.868423

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
61.383143717380314

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R,10S)-7,9-dibromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

> <JCHEM_LOGP>
3.7609920729999997

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.647784325179664

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.360640602271506

> <JCHEM_PKA_STRONGEST_BASIC>
9.25636352265279

> <JCHEM_POLAR_SURFACE_AREA>
92.62

> <JCHEM_REFRACTIVITY>
151.01619999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(5R,10S)-7,9-dibromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0     -26.036  15.032   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0     -24.505  14.871   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0     -23.879  13.464   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -22.347  13.303   0.000  0.00  0.00           C+0
HETATM    5 Br   UNK     0     -21.442  14.549   0.000  0.00  0.00          Br+0
HETATM    6  C   UNK     0     -21.721  11.896   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0     -20.189  11.735   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0     -22.626  10.650   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -24.157  10.811   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -24.784  12.218   0.000  0.00  0.00           C+0
HETATM   11 Br   UNK     0     -26.315  12.379   0.000  0.00  0.00          Br+0
HETATM   12  C   UNK     0     -21.119  10.330   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -20.958   8.798   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -19.625   8.028   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -19.625   6.488   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0     -18.291   8.798   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0     -16.957   8.028   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -15.624   8.798   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -14.290   8.028   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -12.956   8.798   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -11.623   8.028   0.000  0.00  0.00           C+0
HETATM   22 Br   UNK     0     -10.289   8.798   0.000  0.00  0.00          Br+0
HETATM   23  C   UNK     0     -11.623   6.488   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0     -10.289   5.718   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -8.955   6.488   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.622   5.718   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.288   6.488   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      -4.954   5.718   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      -3.621   6.488   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.954   4.178   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -12.956   5.718   0.000  0.00  0.00           C+0
HETATM   32 Br   UNK     0     -12.956   4.178   0.000  0.00  0.00          Br+0
HETATM   33  C   UNK     0     -14.290   6.488   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0     -22.365   8.172   0.000  0.00  0.00           N+0
HETATM   35  O   UNK     0     -23.396   9.316   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    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   12   35                                             
CONECT    9    8   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10                                                            
CONECT   12    8   13                                                       
CONECT   13   12   14   34                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   33                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   31                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   23   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   19                                                       
CONECT   34   13   35                                                       
CONECT   35   34    8                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₂₇Br₄N₃O₅

Average Mass

745.1010 Da

Monoisotopic Mass

740.86842 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(Br)[C@@H](O)[C@@]2(CC(=NO2)C(=O)NCCC2=CC(Br)=C(OCCCN(C)C)C(Br)=C2)C=C1Br

InChI Identifier

InChI=1S/C23H27Br4N3O5/c1-30(2)7-4-8-34-19-14(24)9-13(10-15(19)25)5-6-28-22(32)17-12-23(35-29-17)11-16(26)20(33-3)18(27)21(23)31/h9-11,21,31H,4-8,12H2,1-3H3,(H,28,32)/t21-,23+/m1/s1

InChI Key

OICOETMYMSEQCY-GGAORHGYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

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
Alkyl aryl ether
Halobenzene
Bromobenzene
Aryl bromide
Aryl halide
Monocyclic benzene moiety
Isoxazoline
Amino acid or derivatives
Halohydrin
Carboxamide group
Bromohydrin
Oxime ether
Secondary alcohol
Secondary carboxylic acid amide
Tertiary amine
Tertiary aliphatic amine
Bromoalkene
Ether
Oxacycle
Azacycle
Carboxylic acid derivative
Vinyl bromide
Vinyl halide
Organoheterocyclic compound
Haloalkene
Alcohol
Organohalogen compound
Organobromide
Carbonyl group
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Amine
Organic nitrogen compound
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

162892233

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide (NP0274245)

MOL for NP0274245 ((5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D MOL for NP0274245 ((5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D SDF for NP0274245 ((5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D-SDF for NP0274245 ((5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

PDB for NP0274245 ((5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D PDB for NP0274245 ((5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

SMILES for NP0274245 ((5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

INCHI for NP0274245 ((5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

Structure for NP0274245 ((5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D Structure for NP0274245 ((5r,10s)-7,9-dibromo-n-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)