NP-MRD: Showing NP-Card for (2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid (NP0280245)

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Record Information

Version

2.0

Created at

2022-09-09 05:55:27 UTC

Updated at

2022-09-09 05:55:27 UTC

NP-MRD ID

NP0280245

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid

Description

S-sinapyl-L-cysteine belongs to the class of organic compounds known as l-cysteine-s-conjugates. L-cysteine-S-conjugates are compounds containing L-cysteine where the thio-group is conjugated. (2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid is found in Ananas comosus. (2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid was first documented in 1999 (PMID: 10552379). Based on a literature review very few articles have been published on S-sinapyl-L-cysteine.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 40  0  0  0  0  0  0  0  0999 V2000
   -4.8123   -3.3367   -0.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9373   -2.0266   -0.4378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8909   -1.1439   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6135   -1.5597   -0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5322   -0.7031   -0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2116   -1.2326   -0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8716   -0.5230   -0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2073   -1.1443   -0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1748   -1.1143    0.7533 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5133    0.5795    1.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4495    1.2043    0.2512 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8095    1.1934   -1.0396 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6597    0.3226    0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    0.1631    1.2154 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9907   -0.3332   -0.9662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7499    0.5769    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0438    0.9999    0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2880    2.2964    0.8759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2130    3.1957    1.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1030    0.1465    0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4041    0.5526    0.4714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0850   -3.3681   -1.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4842   -4.0457   -0.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7947   -3.6441   -1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4289   -2.5819   -0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0896   -2.2691   -0.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168    0.4939   -0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6773   -0.7065   -1.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0504   -2.2351   -1.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919    1.2058    1.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    0.5943    2.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571    2.2327    0.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4490    1.4277   -1.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9096    1.6948   -1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6796    0.0275   -1.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370    1.2614    0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6410    3.3644    0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4686    2.8080    1.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6139    4.1669    1.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6616    1.4593    0.7988 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
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 15  1  0
 13 14  2  0
  5 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
 20 21  1  0
 20  3  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  6 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  1
 12 33  1  0
 12 34  1  0
 15 35  1  0
 16 36  1  0
 19 37  1  0
 19 38  1  0
 19 39  1  0
 21 40  1  0
M  END


  Mrv1652309092207552D          

 21 21  0  0  1  0            999 V2000
   -4.2868    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    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
   -0.7145    2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 N   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
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    5.3625    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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  5 16  2  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
 17 20  2  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0280245

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(\C=C\CSC[C@H](N)C(O)=O)=CC(OC)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H19NO5S/c1-19-11-6-9(7-12(20-2)13(11)16)4-3-5-21-8-10(15)14(17)18/h3-4,6-7,10,16H,5,8,15H2,1-2H3,(H,17,18)/b4-3+/t10-/m0/s1

> <INCHI_KEY>
XJBBOFRVLANYNM-FSIBCCDJSA-N

> <FORMULA>
C14H19NO5S

> <MOLECULAR_WEIGHT>
313.37

> <EXACT_MASS>
313.09839389

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
33.2480186017252

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-amino-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid

> <JCHEM_LOGP>
-0.7939639414514881

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.603020478197546

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8890238159415804

> <JCHEM_PKA_STRONGEST_BASIC>
8.955368216193397

> <JCHEM_POLAR_SURFACE_AREA>
102.01

> <JCHEM_REFRACTIVITY>
82.7623

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-amino-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid

> <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      -8.002  12.320   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -6.668  11.550   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -6.668  10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335   7.700   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001   5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    9  S   UNK     0      -1.334   5.390   0.000  0.00  0.00           S+0
HETATM   10  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334   5.390   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       1.334   6.930   0.000  0.00  0.00           N+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  O   UNK     0       2.667   3.080   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -6.668   6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.002   7.700   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -9.336   6.930   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0     -10.669   7.700   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -8.002   9.240   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -9.336  10.010   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   20                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   16                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    5   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17    3   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₄H₁₉NO₅S

Average Mass

313.3700 Da

Monoisotopic Mass

313.09839 Da

IUPAC Name

(2R)-2-amino-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid

Traditional Name

(2R)-2-amino-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid

CAS Registry Number

Not Available

SMILES

COC1=CC(\C=C\CSC[C@H](N)C(O)=O)=CC(OC)=C1O

InChI Identifier

InChI=1S/C14H19NO5S/c1-19-11-6-9(7-12(20-2)13(11)16)4-3-5-21-8-10(15)14(17)18/h3-4,6-7,10,16H,5,8,15H2,1-2H3,(H,17,18)/b4-3+/t10-/m0/s1

InChI Key

XJBBOFRVLANYNM-FSIBCCDJSA-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
Ananas comosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-cysteine-s-conjugates. L-cysteine-S-conjugates are compounds containing L-cysteine where the thio-group is conjugated.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-cysteine-S-conjugates

Alternative Parents

Substituents

L-cysteine-s-conjugate
Alpha-amino acid
L-alpha-amino acid
M-dimethoxybenzene
Dimethoxybenzene
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Styrene
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Amino acid
Carboxylic acid
Ether
Dialkylthioether
Monocarboxylic acid or derivatives
Sulfenyl compound
Thioether
Organic oxide
Primary aliphatic amine
Amine
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Hydrocarbon derivative
Primary amine
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	-0.79	ChemAxon
pKa (Strongest Acidic)	1.89	ChemAxon
pKa (Strongest Basic)	8.96	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	102.01 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	82.76 m³·mol⁻¹	ChemAxon
Polarizability	33.25 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

19429054

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15553258

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wen L, Wrolstad RE, Hsu VL: Characterization of sinapyl derivatives in pineapple (Ananas comosus [L.] Merill) juice. J Agric Food Chem. 1999 Mar;47(3):850-3. doi: 10.1021/jf9808067. [PubMed:10552379 ]
LOTUS database [Link]

Showing NP-Card for (2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid (NP0280245)

MOL for NP0280245 ((2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid)

3D MOL for NP0280245 ((2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid)

3D SDF for NP0280245 ((2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid)

3D-SDF for NP0280245 ((2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid)

PDB for NP0280245 ((2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid)

3D PDB for NP0280245 ((2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid)

SMILES for NP0280245 ((2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid)

INCHI for NP0280245 ((2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid)

Structure for NP0280245 ((2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid)

3D Structure for NP0280245 ((2r)-2-amino-3-{[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid)