NP-MRD: Showing NP-Card for (2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate (NP0279536)

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Record Information

Version

1.0

Created at

2022-09-09 04:57:33 UTC

Updated at

2022-09-09 04:57:33 UTC

NP-MRD ID

NP0279536

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate

Description

Purpuroine F belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. It was first documented in 2022 (PMID: 36113884). Based on a literature review a significant number of articles have been published on Purpuroine F (PMID: 36113709) (PMID: 36113667) (PMID: 36113662) (PMID: 36113649) (PMID: 36113573) (PMID: 36113628).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 36  0  0  0  0  0  0  0  0999 V2000
    4.6343    0.8857   -1.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5259   -0.0137   -0.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -0.1504    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169   -1.1243   -0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983   -2.3532   -2.0595 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.2785    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7061   -0.4987    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6705   -0.6658    1.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7229    0.1567    1.0800 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0134   -0.1373    1.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1019   -1.2227    2.4289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0901    0.7198    1.8318 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0463    0.0382   -0.2907 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.1862   -1.2657   -0.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3330    0.7156   -0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700    0.7724   -1.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    0.4757    1.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088    0.6463    1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0986    2.1273    1.8232 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.6283    0.8034   -2.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6046    1.9061   -1.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8594    0.6972   -2.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199   -2.0529   -0.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9159   -1.7587    1.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.3448    2.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5013    1.2237    1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726   -2.0885   -0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578   -1.3972   -1.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2188   -1.5282   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3059    0.8677   -1.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1860    0.0619   -0.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3722    1.7163   -0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5476    0.1066   -1.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106    1.5772   -1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.2739   -0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    1.1086    2.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 12  1  0
 10 11  2  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
  7 17  1  0
 17 18  2  0
 18 19  1  0
 18  3  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  6 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  6
 14 27  1  0
 14 28  1  0
 14 29  1  0
 15 30  1  0
 15 31  1  0
 15 32  1  0
 16 33  1  0
 16 34  1  0
 16 35  1  0
 17 36  1  0
M  CHG  2  12  -1  13   1
M  END


  Mrv1652309092206572D          

 19 19  0  0  1  0            999 V2000
    0.0000    2.4750    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
    0.7145    1.2375    0.0000 C   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 I   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
    0.7145   -0.4125    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
    1.4289   -1.6500    0.0000 C   0  0  2  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 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.5230    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 I   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  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  2  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2  12  -1  13   1
M  END
> <DATABASE_ID>
NP0279536

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(I)C=C(C[C@H](C([O-])=O)[N+](C)(C)C)C=C1I

> <INCHI_IDENTIFIER>
InChI=1S/C13H17I2NO3/c1-16(2,3)11(13(17)18)7-8-5-9(14)12(19-4)10(15)6-8/h5-6,11H,7H2,1-4H3/t11-/m1/s1

> <INCHI_KEY>
KUAOAGSKKMAQQJ-LLVKDONJSA-N

> <FORMULA>
C13H17I2NO3

> <MOLECULAR_WEIGHT>
489.092

> <EXACT_MASS>
488.92978

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
36.39392779372573

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylazaniumyl)propanoate

> <JCHEM_LOGP>
-0.568875541471745

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9106968371750881

> <JCHEM_PKA_STRONGEST_BASIC>
-4.907923978220477

> <JCHEM_POLAR_SURFACE_AREA>
49.36

> <JCHEM_REFRACTIVITY>
115.1245

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  I   UNK     0       4.001   2.310   0.000  0.00  0.00           I+0
HETATM    6  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   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  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O-1
HETATM   13  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+1
HETATM   14  C   UNK     0       5.335  -1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.771  -3.644   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.231  -0.976   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   19  I   UNK     0      -1.334   2.310   0.000  0.00  0.00           I+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   18                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   17                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   13                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    9   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13                                                            
CONECT   17    7   18                                                       
CONECT   18   17    3   19                                                  
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₃H₁₇I₂NO₃

Average Mass

489.0920 Da

Monoisotopic Mass

488.92978 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(I)C=C(C[C@H](C([O-])=O)[N+](C)(C)C)C=C1I

InChI Identifier

InChI=1S/C13H17I2NO3/c1-16(2,3)11(13(17)18)7-8-5-9(14)12(19-4)10(15)6-8/h5-6,11H,7H2,1-4H3/t11-/m1/s1

InChI Key

KUAOAGSKKMAQQJ-LLVKDONJSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Phenylalanine and derivatives

Alternative Parents

Substituents

Phenylalanine or derivatives
3-phenylpropanoic-acid
D-alpha-amino acid
Alpha-amino acid
Amphetamine or derivatives
Phenol ether
Methoxybenzene
Phenoxy compound
Anisole
Aralkylamine
Alkyl aryl ether
Halobenzene
Iodobenzene
Monocyclic benzene moiety
Aryl iodide
Benzenoid
Aryl halide
Tetraalkylammonium salt
Quaternary ammonium salt
Carboxylic acid salt
Ether
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organohalogen compound
Organoiodide
Organonitrogen compound
Carbonyl group
Organooxygen compound
Organic salt
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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

28646933

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71461186

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Das A, Wang X, Wei J, Hoji A, Coon TA, Popescu I, Brown M, Frizzell S, Iasella CJ, Noda K, Sembrat JC, Devonshire K, Hannan SJ, Snyder ME, Pilewski JM, Sanchez PG, Chandra D, Mallampalli RK, Alder JK, Chen BB, McDyer JF: Cross-Regulation of F-Box Protein FBXL2 with T-bet and TNF-alpha during Acute and Chronic Lung Allograft Rejection. J Immunol. 2022 Nov 1;209(9):1788-1795. doi: 10.4049/jimmunol.2200245. Epub 2022 Sep 16. [PubMed:36113884 ]
Rajarapu SP, Ben-Mahmoud S, Benoit JB, Ullman DE, Whitfield AE, Rotenberg D: Sex-biased proteomic response to tomato spotted wilt virus infection of the salivary glands of Frankliniella occidentalis, the western flower thrips. Insect Biochem Mol Biol. 2022 Oct;149:103843. doi: 10.1016/j.ibmb.2022.103843. Epub 2022 Sep 14. [PubMed:36113709 ]
Zaleski K, Matias A, Gyampo A, Giuriato G, Lynch M, Lora B, Tomasi T, Basso E, Finegan E, Schickler J, Venturelli M, Ives SJ: Does sex influence near-infrared spectroscopy-derived indicators of microvascular reactivity and the response to acute dietary capsaicin. Microvasc Res. 2023 Jan;145:104436. doi: 10.1016/j.mvr.2022.104436. Epub 2022 Sep 14. [PubMed:36113667 ]
Ye D, Xie M, Zhang X, Huang H, Yu H, Zheng Z, Wang Y, Li T: Evaluation for phosphorus accumulation and removal capability of nine species in the Polygonaceae to excavate amphibious superstars used for phosphorus-phytoextraction. Chemosphere. 2022 Dec;308(Pt 2):136361. doi: 10.1016/j.chemosphere.2022.136361. Epub 2022 Sep 13. [PubMed:36113662 ]
Huang R, Cao H, Huang T, Li H, Tang Q, Wang L, Zheng X: Effects of environmental factors on the fleroxacin photodegradation with the identification of reaction pathways. Chemosphere. 2022 Dec;308(Pt 2):136373. doi: 10.1016/j.chemosphere.2022.136373. Epub 2022 Sep 13. [PubMed:36113649 ]
Othmani A, Kadier A, Singh R, Igwegbe CA, Bouzid M, Aquatar MO, Khanday WA, Bote ME, Damiri F, Gokkus O, Sher F: A comprehensive review on green perspectives of electrocoagulation integrated with advanced processes for effective pollutants removal from water environment. Environ Res. 2022 Dec;215(Pt 1):114294. doi: 10.1016/j.envres.2022.114294. Epub 2022 Sep 14. [PubMed:36113573 ]
Miller ID, Kohlhagen MC, Ladwig PM, Dasari S, Kumar S, Dispenzieri A, Willrich MAV, Murray DL: Characterizing M-protein light chain glycosylation via mass spectrometry. Clin Biochem. 2022 Nov-Dec;109-110:11-16. doi: 10.1016/j.clinbiochem.2022.09.004. Epub 2022 Sep 13. [PubMed:36113628 ]
Sengul Y, Kurudirek F: Perceived stigma and self-esteem for children with epilepsy. Epilepsy Res. 2022 Oct;186:107017. doi: 10.1016/j.eplepsyres.2022.107017. Epub 2022 Sep 9. [PubMed:36113252 ]
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LOTUS database [Link]

Showing NP-Card for (2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate (NP0279536)

MOL for NP0279536 ((2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate)

3D MOL for NP0279536 ((2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate)

3D SDF for NP0279536 ((2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate)

3D-SDF for NP0279536 ((2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate)

PDB for NP0279536 ((2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate)

3D PDB for NP0279536 ((2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate)

SMILES for NP0279536 ((2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate)

INCHI for NP0279536 ((2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate)

Structure for NP0279536 ((2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate)

3D Structure for NP0279536 ((2r)-3-(3,5-diiodo-4-methoxyphenyl)-2-(trimethylammonio)propanoate)