NP-MRD: Showing NP-Card for (5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide (NP0192702)

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Record Information

Version

2.0

Created at

2022-09-04 09:58:45 UTC

Updated at

2022-09-04 09:58:45 UTC

NP-MRD ID

NP0192702

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

Description

CHEMBL228079 belongs to the class of organic compounds known as isoxazolines. Isoxazolines are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms. (5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide is found in Himerometra magnipinna. Based on a literature review very few articles have been published on CHEMBL228079.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042211582D          

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M  END

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  Mrv1652309042211582D          

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    7.4378   -7.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0351   -6.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170   -6.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8719   -7.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3199   -7.9512    0.0000 Br  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  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 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
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 27 36  1  0  0  0  0
 36 37  1  6  0  0  0
 27 38  1  0  0  0  0
 24 38  1  0  0  0  0
 11 39  1  0  0  0  0
  8 39  1  0  0  0  0
 39 40  2  0  0  0  0
  3 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0192702

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCC(O)CCNC(=O)C2=NO[C@@H]3[C@@H](O)C(Br)=C(OC)C(Br)=C23)C=C1Br

> <INCHI_IDENTIFIER>
InChI=1S/C24H26Br4N4O9/c1-38-18-10(25)7-24(21(35)15(18)28)8-11(31-41-24)22(36)29-5-3-9(33)4-6-30-23(37)16-12-13(26)20(39-2)14(27)17(34)19(12)40-32-16/h7,9,17,19,21,33-35H,3-6,8H2,1-2H3,(H,29,36)(H,30,37)/t9?,17-,19-,21-,24+/m0/s1

> <INCHI_KEY>
QSCHCHRJYLNSRF-GXULUECYSA-N

> <FORMULA>
C24H26Br4N4O9

> <MOLECULAR_WEIGHT>
834.107

> <EXACT_MASS>
829.84333

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
66.8400179185382

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5S,10R)-N-(5-{[(7R,7aS)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

> <JCHEM_LOGP>
-0.3068122863333339

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.722040700464746

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.129064521500128

> <JCHEM_PKA_STRONGEST_BASIC>
0.560283324165397

> <JCHEM_POLAR_SURFACE_AREA>
180.53

> <JCHEM_REFRACTIVITY>
163.1605

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(5S,10R)-N-(5-{[(7R,7aS)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.983 -15.803   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.476 -15.483   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -5.001 -14.018   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.031 -12.874   0.000  0.00  0.00           C+0
HETATM    5 Br   UNK     0      -7.537 -13.194   0.000  0.00  0.00          Br+0
HETATM    6  C   UNK     0      -5.555 -11.409   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -6.586 -10.264   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.049 -11.089   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -3.279  -9.755   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      -1.772 -10.075   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -1.611 -11.607   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.278 -12.377   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.278 -13.917   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       1.056 -11.607   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       2.390 -12.377   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.723 -11.607   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.057 -12.377   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.057 -13.917   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.391 -11.607   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.724 -12.377   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       9.058 -11.607   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      10.392 -12.377   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.392 -13.917   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      11.725 -11.607   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      11.886 -10.075   0.000  0.00  0.00           N+0
HETATM   26  O   UNK     0      13.393  -9.755   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      14.163 -11.089   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      15.068  -9.843   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      16.599 -10.004   0.000  0.00  0.00           C+0
HETATM   30 Br   UNK     0      17.505  -8.758   0.000  0.00  0.00          Br+0
HETATM   31  C   UNK     0      17.226 -11.411   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      18.757 -11.572   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      19.663 -10.326   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      16.321 -12.657   0.000  0.00  0.00           C+0
HETATM   35 Br   UNK     0      16.947 -14.063   0.000  0.00  0.00          Br+0
HETATM   36  C   UNK     0      14.789 -12.496   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      13.884 -13.741   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      13.132 -12.233   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -3.018 -12.233   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -3.494 -13.698   0.000  0.00  0.00           C+0
HETATM   41 Br   UNK     0      -2.464 -14.842   0.000  0.00  0.00          Br+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   40                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   39                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   39                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   38                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   36   38                                             
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   27   37                                                  
CONECT   37   36                                                            
CONECT   38   27   24                                                       
CONECT   39   11    8   40                                                  
CONECT   40   39    3   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₂₆Br₄N₄O₉

Average Mass

834.1070 Da

Monoisotopic Mass

829.84333 Da

IUPAC Name

(5S,10R)-N-(5-{[(7R,7aS)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCC(O)CCNC(=O)C2=NO[C@@H]3[C@@H](O)C(Br)=C(OC)C(Br)=C23)C=C1Br

InChI Identifier

InChI=1S/C24H26Br4N4O9/c1-38-18-10(25)7-24(21(35)15(18)28)8-11(31-41-24)22(36)29-5-3-9(33)4-6-30-23(37)16-12-13(26)20(39-2)14(27)17(34)19(12)40-32-16/h7,9,17,19,21,33-35H,3-6,8H2,1-2H3,(H,29,36)(H,30,37)/t9?,17-,19-,21-,24+/m0/s1

InChI Key

QSCHCHRJYLNSRF-GXULUECYSA-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
Himerometra magnipinna	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoxazolines. Isoxazolines are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azolines

Sub Class

Isoxazolines

Direct Parent

Isoxazolines

Alternative Parents

Substituents

Isoxazoline
Bromohydrin
Carboxamide group
Halohydrin
Oxime ether
Secondary alcohol
Secondary carboxylic acid amide
Haloalkene
Vinyl halide
Vinyl bromide
Carboxylic acid derivative
Oxacycle
Azacycle
Bromoalkene
Organic oxygen compound
Organonitrogen compound
Organobromide
Organohalogen compound
Organic nitrogen compound
Alcohol
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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
logP	-0.31	ChemAxon
pKa (Strongest Acidic)	12.13	ChemAxon
pKa (Strongest Basic)	0.56	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	180.53 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	163.16 m³·mol⁻¹	ChemAxon
Polarizability	66.84 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

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

23283136

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44423031

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide (NP0192702)

MOL for NP0192702 ((5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D MOL for NP0192702 ((5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D SDF for NP0192702 ((5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D-SDF for NP0192702 ((5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

PDB for NP0192702 ((5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D PDB for NP0192702 ((5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

SMILES for NP0192702 ((5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

INCHI for NP0192702 ((5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

Structure for NP0192702 ((5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

3D Structure for NP0192702 ((5s,10r)-n-(5-{[(7r,7as)-4,6-dibromo-7-hydroxy-5-methoxy-7,7a-dihydro-1,2-benzoxazol-3-yl]formamido}-3-hydroxypentyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)