NP-MRD: Showing NP-Card for (-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine (NP0032710)

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Record Information

Version

2.0

Created at

2021-06-19 23:26:31 UTC

Updated at

2021-06-30 00:02:04 UTC

NP-MRD ID

NP0032710

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine

Provided By

JEOL Database JEOL Logo

Description

3-Bromo-5-hydroxy-O-methyltyrosine 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. (-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine is found in Rhodomela confervoides. (-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine was first documented in 2007 (Ma, M., et al.). Based on a literature review very few articles have been published on 3-bromo-5-hydroxy-O-methyltyrosine.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202101263D          

 28 28  0  0  0  0            999 V2000
    4.3749   -1.5719    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6614   -0.3546    0.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3197   -0.5452    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8085   -0.2561   -1.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6219    0.2171   -2.2197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4585   -0.4253   -1.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4184   -0.8597   -0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921   -1.0288   -0.8052 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6390    0.3039   -0.9789 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6833    1.1116    0.2844 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0817   -0.0081   -1.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4132   -0.4797   -2.4755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9609    0.2811   -0.4047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0863   -1.1137    0.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486   -0.9476    1.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0484   -1.2539    2.8246 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0141   -2.3899    0.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4268   -1.3947    0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3143   -1.8568   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801    0.4076   -1.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0985   -0.2105   -2.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9902   -1.6361   -1.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654   -1.6244   -0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842    0.9236   -1.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.1368    0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573    2.0878    0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4147    0.6290    0.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889   -1.4368    1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  7 14  2  0  0  0  0
 11 13  1  0  0  0  0
  4  6  2  0  0  0  0
 15 16  1  0  0  0  0
 14 15  1  0  0  0  0
  3  2  1  0  0  0  0
 15  3  2  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
 11 12  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
  6 21  1  0  0  0  0
 14 28  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  6  0  0  0
 13 27  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END


  Mrv1652306202101263D          

 28 28  0  0  0  0            999 V2000
    4.3749   -1.5719    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6614   -0.3546    0.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3197   -0.5452    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8085   -0.2561   -1.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6219    0.2171   -2.2197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4585   -0.4253   -1.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4184   -0.8597   -0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921   -1.0288   -0.8052 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6390    0.3039   -0.9789 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6833    1.1116    0.2844 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0817   -0.0081   -1.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4132   -0.4797   -2.4755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9609    0.2811   -0.4047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0863   -1.1137    0.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486   -0.9476    1.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0484   -1.2539    2.8246 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0141   -2.3899    0.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4268   -1.3947    0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3143   -1.8568   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801    0.4076   -1.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0985   -0.2105   -2.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9902   -1.6361   -1.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654   -1.6244   -0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842    0.9236   -1.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.1368    0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573    2.0878    0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4147    0.6290    0.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889   -1.4368    1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  7 14  2  0  0  0  0
 11 13  1  0  0  0  0
  4  6  2  0  0  0  0
 15 16  1  0  0  0  0
 14 15  1  0  0  0  0
  3  2  1  0  0  0  0
 15  3  2  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
 11 12  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
  6 21  1  0  0  0  0
 14 28  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  6  0  0  0
 13 27  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0032710

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])C(Br)=C(OC([H])([H])[H])C(O[H])=C1[H]

> <INCHI_IDENTIFIER>
InChI=1S/C10H12BrNO4/c1-16-9-6(11)2-5(4-8(9)13)3-7(12)10(14)15/h2,4,7,13H,3,12H2,1H3,(H,14,15)/t7-/m0/s1

> <INCHI_KEY>
UGJKNPLWDTUBEB-ZETCQYMHSA-N

> <FORMULA>
C10H12BrNO4

> <MOLECULAR_WEIGHT>
290.113

> <EXACT_MASS>
288.994971

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
24.381227608011518

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-3-(3-bromo-5-hydroxy-4-methoxyphenyl)propanoic acid

> <ALOGPS_LOGP>
-1.34

> <JCHEM_LOGP>
-0.8774994999517467

> <ALOGPS_LOGS>
-2.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.037609165976004

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9060945475846207

> <JCHEM_PKA_STRONGEST_BASIC>
9.67412328333455

> <JCHEM_POLAR_SURFACE_AREA>
92.78000000000002

> <JCHEM_REFRACTIVITY>
61.1832

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.24e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-amino-3-(3-bromo-5-hydroxy-4-methoxyphenyl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0       4.375  -1.572   0.013  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.661  -0.355   0.256  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.320  -0.545   0.038  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.809  -0.256  -1.228  0.00  0.00           C+0
HETATM    5  O   UNK     0       2.622   0.217  -2.220  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.459  -0.425  -1.515  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.418  -0.860  -0.512  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.892  -1.029  -0.805  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.639   0.304  -0.979  0.00  0.00           C+0
HETATM   10  N   UNK     0      -2.683   1.112   0.284  0.00  0.00           N+0
HETATM   11  C   UNK     0      -4.082  -0.008  -1.400  0.00  0.00           C+0
HETATM   12  O   UNK     0      -4.413  -0.480  -2.475  0.00  0.00           O+0
HETATM   13  O   UNK     0      -4.961   0.281  -0.405  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.086  -1.114   0.775  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.449  -0.948   1.052  0.00  0.00           C+0
HETATM   16 Br   UNK     0       2.048  -1.254   2.825  0.00  0.00          Br+0
HETATM   17  H   UNK     0       4.014  -2.390   0.645  0.00  0.00           H+0
HETATM   18  H   UNK     0       5.427  -1.395   0.256  0.00  0.00           H+0
HETATM   19  H   UNK     0       4.314  -1.857  -1.043  0.00  0.00           H+0
HETATM   20  H   UNK     0       3.480   0.408  -1.795  0.00  0.00           H+0
HETATM   21  H   UNK     0       0.099  -0.211  -2.518  0.00  0.00           H+0
HETATM   22  H   UNK     0      -1.990  -1.636  -1.715  0.00  0.00           H+0
HETATM   23  H   UNK     0      -2.365  -1.624  -0.013  0.00  0.00           H+0
HETATM   24  H   UNK     0      -2.184   0.924  -1.760  0.00  0.00           H+0
HETATM   25  H   UNK     0      -1.732   1.137   0.668  0.00  0.00           H+0
HETATM   26  H   UNK     0      -2.857   2.088   0.017  0.00  0.00           H+0
HETATM   27  H   UNK     0      -4.415   0.629   0.345  0.00  0.00           H+0
HETATM   28  H   UNK     0      -0.589  -1.437   1.566  0.00  0.00           H+0
CONECT    1    2   17   18   19                                             
CONECT    2    3    1                                                       
CONECT    3    2   15    4                                                  
CONECT    4    6    3    5                                                  
CONECT    5    4   20                                                       
CONECT    6    4    7   21                                                  
CONECT    7   14    8    6                                                  
CONECT    8    9    7   22   23                                             
CONECT    9    8   11   10   24                                             
CONECT   10    9   25   26                                                  
CONECT   11    9   13   12                                                  
CONECT   12   11                                                            
CONECT   13   11   27                                                       
CONECT   14    7   15   28                                                  
CONECT   15   16   14    3                                                  
CONECT   16   15                                                            
CONECT   17    1                                                            
CONECT   18    1                                                            
CONECT   19    1                                                            
CONECT   20    5                                                            
CONECT   21    6                                                            
CONECT   22    8                                                            
CONECT   23    8                                                            
CONECT   24    9                                                            
CONECT   25   10                                                            
CONECT   26   10                                                            
CONECT   27   13                                                            
CONECT   28   14                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   56    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₀H₁₂BrNO₄

Average Mass

290.1130 Da

Monoisotopic Mass

288.99497 Da

IUPAC Name

(2S)-2-amino-3-(3-bromo-5-hydroxy-4-methoxyphenyl)propanoic acid

Traditional Name

(2S)-2-amino-3-(3-bromo-5-hydroxy-4-methoxyphenyl)propanoic acid

CAS Registry Number

Not Available

SMILES

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])C(Br)=C(OC([H])([H])[H])C(O[H])=C1[H]

InChI Identifier

InChI=1S/C10H12BrNO4/c1-16-9-6(11)2-5(4-8(9)13)3-7(12)10(14)15/h2,4,7,13H,3,12H2,1H3,(H,14,15)/t7-/m0/s1

InChI Key

UGJKNPLWDTUBEB-ZETCQYMHSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Rhodomela confervoides	JEOL database	Ma, M., et al, J. Nat. Prod. 70, 337 (2007)

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
Methoxyphenol
Alpha-amino acid
Amphetamine or derivatives
L-alpha-amino acid
Phenoxy compound
3-bromophenol
3-halophenol
Phenol ether
Anisole
Methoxybenzene
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Bromobenzene
Aralkylamine
Phenol
Halobenzene
Aryl halide
Monocyclic benzene moiety
Aryl bromide
Benzenoid
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid
Ether
Organic nitrogen compound
Primary aliphatic amine
Organohalogen compound
Carbonyl group
Organobromide
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
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
logP	-1.3	ALOGPS
logP	-0.88	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	0.91	ChemAxon
pKa (Strongest Basic)	9.67	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	92.78 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	61.18 m³·mol⁻¹	ChemAxon
Polarizability	24.38 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

17214476

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16115979

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ma, M., et al. (2007). Ma, M., et al, J. Nat. Prod. 70, 337 (2007). J. Nat. Prod..

Showing NP-Card for (-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine (NP0032710)

MOL for NP0032710 ((-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine)

3D MOL for NP0032710 ((-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine)

3D SDF for NP0032710 ((-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine)

3D-SDF for NP0032710 ((-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine)

PDB for NP0032710 ((-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine)

3D PDB for NP0032710 ((-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine)

SMILES for NP0032710 ((-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine)

INCHI for NP0032710 ((-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine)

Structure for NP0032710 ((-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine)

3D Structure for NP0032710 ((-)-8S-(3-bromo-5-hydroxy-4-methoxy)phenylalanine)