NP-MRD: Showing NP-Card for (2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid (NP0189419)

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Record Information

Version

1.0

Created at

2022-09-04 05:53:51 UTC

Updated at

2022-09-04 05:53:52 UTC

NP-MRD ID

NP0189419

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid

Description

MLS005951916 belongs to the class of organic compounds known as o-bromophenols. These are bromophenols carrying a iodine at the C2 position of the benzene ring. (2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid is found in Verongula gigantea. It was first documented in 2022 (PMID: 36057864). Based on a literature review a significant number of articles have been published on MLS005951916 (PMID: 36057863) (PMID: 36057862) (PMID: 36057861) (PMID: 36057860).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 38  0  0  0  0  0  0  0  0999 V2000
   -0.6430   -3.3501   -0.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0337   -2.1571   -0.1252 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4174   -1.0742    0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7123   -1.2353    1.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896   -0.3568    0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4466   -0.7183   -0.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4505    0.0517   -1.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8415    1.2189   -0.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8463    2.0146   -1.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1923    1.5787    0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6714    3.1931    1.5844 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1808    0.8097    1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2971    0.1805    0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2393    1.2902    1.0246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    0.3470   -0.1958 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -0.7533   -0.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3599   -0.1901   -1.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655    0.2931   -0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9169    0.2955    1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9676    0.8537    1.7063 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8639    1.1966    0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3927    0.8646   -0.4435 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944   -3.9424    0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0607   -2.2788    1.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452   -0.9144    2.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -1.6533   -1.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9408   -0.2760   -2.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1097    2.8663   -0.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6973    1.1358    2.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2999    1.2335    2.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3197   -1.5820   -0.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4589   -1.1625   -1.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9002   -0.9843   -2.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640    0.6188   -2.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104   -0.0963    1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8112    1.6683    1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8777    1.0145   -1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  3 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 12  5  1  0
 22 18  1  0
  1 23  1  0
  4 24  1  0
  4 25  1  0
  6 26  1  0
  7 27  1  0
  9 28  1  0
 12 29  1  0
 14 30  1  0
 16 31  1  0
 16 32  1  0
 17 33  1  0
 17 34  1  0
 19 35  1  0
 21 36  1  0
 22 37  1  0
M  END


  Mrv1652309042207532D          

 22 23  0  0  0  0            999 V2000
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -5.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -6.2195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -6.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -5.4349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  5 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  4  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0189419

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O\N=C(/CC1=CC=C(O)C(Br)=C1)C(O)=NCCC1=CN=CN1

> <INCHI_IDENTIFIER>
InChI=1S/C14H15BrN4O3/c15-11-5-9(1-2-13(11)20)6-12(19-22)14(21)17-4-3-10-7-16-8-18-10/h1-2,5,7-8,20,22H,3-4,6H2,(H,16,18)(H,17,21)/b19-12+

> <INCHI_KEY>
YABXYTQZJQCRRH-XDHOZWIPSA-N

> <FORMULA>
C14H15BrN4O3

> <MOLECULAR_WEIGHT>
367.203

> <EXACT_MASS>
366.032753

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
32.628063212907065

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-3-(3-bromo-4-hydroxyphenyl)-2-(N-hydroxyimino)-N-[2-(1H-imidazol-5-yl)ethyl]propanimidic acid

> <JCHEM_LOGP>
1.3597436957537536

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.136927718644941

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.717838304660277

> <JCHEM_PKA_STRONGEST_BASIC>
6.7388208688667826

> <JCHEM_POLAR_SURFACE_AREA>
114.09

> <JCHEM_REFRACTIVITY>
85.6879

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3-(3-bromo-4-hydroxyphenyl)-2-(N-hydroxyimino)-N-[2-(3H-imidazol-4-yl)ethyl]propanimidic acid

> <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  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11 Br   UNK     0       4.001   2.310   0.000  0.00  0.00          Br+0
HETATM   12  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       1.334  -5.390   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.913 -10.145   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       3.437 -11.610   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       1.897 -11.610   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       1.421 -10.145   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   13                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    5                                                       
CONECT   13    3   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   18                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₄H₁₅BrN₄O₃

Average Mass

367.2030 Da

Monoisotopic Mass

366.03275 Da

IUPAC Name

(2E)-3-(3-bromo-4-hydroxyphenyl)-2-(N-hydroxyimino)-N-[2-(1H-imidazol-5-yl)ethyl]propanimidic acid

Traditional Name

(2E)-3-(3-bromo-4-hydroxyphenyl)-2-(N-hydroxyimino)-N-[2-(3H-imidazol-4-yl)ethyl]propanimidic acid

CAS Registry Number

Not Available

SMILES

O\N=C(/CC1=CC=C(O)C(Br)=C1)C(O)=NCCC1=CN=CN1

InChI Identifier

InChI=1S/C14H15BrN4O3/c15-11-5-9(1-2-13(11)20)6-12(19-22)14(21)17-4-3-10-7-16-8-18-10/h1-2,5,7-8,20,22H,3-4,6H2,(H,16,18)(H,17,21)/b19-12+

InChI Key

YABXYTQZJQCRRH-XDHOZWIPSA-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
Verongula gigantea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-bromophenols. These are bromophenols carrying a iodine at the C2 position of the benzene ring.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

2-bromophenol
1-hydroxy-2-unsubstituted benzenoid
Bromobenzene
Halobenzene
Aryl bromide
Aryl halide
Monocyclic benzene moiety
Fatty acyl
Fatty amide
Azole
Heteroaromatic compound
Ketoxime
Imidazole
Carboxamide group
Secondary carboxylic acid amide
Oxime
Organoheterocyclic compound
Carboxylic acid derivative
Azacycle
Organohalogen compound
Organooxygen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organobromide
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	1.36	ChemAxon
pKa (Strongest Acidic)	1.72	ChemAxon
pKa (Strongest Basic)	6.74	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	114.09 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	85.69 m³·mol⁻¹	ChemAxon
Polarizability	32.63 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

10286716

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21674245

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Poon AWC, Hofstaetter L, Judd-Lam S: Social connectedness of carers: An Australian national survey of carers. Health Soc Care Community. 2022 Sep 4. doi: 10.1111/hsc.13987. [PubMed:36057864 ]
Johnson-Laghi KA, Woo SM, Zafar Z, Fernandez S, Desale S, Robertazzi SE, Smith CI, Thomas AM, Lalos AT, Georgia SJ, Jenkins ML, Faust TW, Fishbein TM, Satoskar RS, Rangnekar AS, Hsu CC: Alcohol-associated liver disease predicts increased post-liver transplant opioid use. Clin Transplant. 2022 Sep 4:e14811. doi: 10.1111/ctr.14811. [PubMed:36057863 ]
Michael GC, Grema BA, Ashimi AO, Olawumi AL, Umar ZA, Mahmoud Z, Aji SA: Predictors of Satisfaction with Wound Care Services in an Outpatient Setting in Kano, Nigeria. West Afr J Med. 2022 Aug 31;39(8):800-807. [PubMed:36057862 ]
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LOTUS database [Link]

Showing NP-Card for (2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid (NP0189419)

MOL for NP0189419 ((2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid)

3D MOL for NP0189419 ((2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid)

3D SDF for NP0189419 ((2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid)

3D-SDF for NP0189419 ((2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid)

PDB for NP0189419 ((2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid)

3D PDB for NP0189419 ((2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid)

SMILES for NP0189419 ((2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid)

INCHI for NP0189419 ((2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid)

Structure for NP0189419 ((2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid)

3D Structure for NP0189419 ((2e)-3-(3-bromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid)