NP-MRD: Showing NP-Card for 2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate (NP0210984)

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Record Information

Version

2.0

Created at

2022-09-05 09:03:27 UTC

Updated at

2022-09-05 09:03:27 UTC

NP-MRD ID

NP0210984

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate

Description

2-(6-Amino-9H-purin-9-yl)-4-{[3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. Based on a literature review very few articles have been published on 2-(6-amino-9H-purin-9-yl)-4-{[3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052211032D          

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 34 43  1  0  0  0  0
M  CHG  2  29   1  31  -1
M  END

     RDKit          3D

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M  CHG  2  30   1  32  -1
M  END


  Mrv1652309052211032D          

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   -1.9894   -3.8642    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0992   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   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  4  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  2  0  0  0  0
  5 11  1  0  0  0  0
  3 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
 18 19  2  0  0  0  0
 20 18  1  4  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 15 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 37 43  1  0  0  0  0
 34 43  1  0  0  0  0
M  CHG  2  29   1  31  -1
M  END
> <DATABASE_ID>
NP0210984

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=CC1=CC=C(O)C=C1)C(=O)OC1C(OC(=O)C=CC2=CN=CN2)C(C[S+](C)[O-])OC1N1C=NC2=C(N)N=CN=C12

> <INCHI_IDENTIFIER>
InChI=1S/C27H27N7O8S/c1-39-18(9-15-3-6-17(35)7-4-15)27(37)42-23-22(41-20(36)8-5-16-10-29-12-30-16)19(11-43(2)38)40-26(23)34-14-33-21-24(28)31-13-32-25(21)34/h3-10,12-14,19,22-23,26,35H,11H2,1-2H3,(H,29,30)(H2,28,31,32)

> <INCHI_KEY>
JGGBEDSTDFEDDL-UHFFFAOYSA-N

> <FORMULA>
C27H27N7O8S

> <MOLECULAR_WEIGHT>
609.61

> <EXACT_MASS>
609.164182031

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
59.94535417519485

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(6-amino-9H-purin-9-yl)-4-{[3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate

> <JCHEM_LOGP>
0.33185369033333323

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.391255288419831

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.195521263158325

> <JCHEM_PKA_STRONGEST_BASIC>
6.695451886963577

> <JCHEM_POLAR_SURFACE_AREA>
206.66000000000003

> <JCHEM_REFRACTIVITY>
156.4095

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-(6-aminopurin-9-yl)-4-{[3-(3H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       8.715  -5.259   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.175  -5.259   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.405  -6.593   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.175  -7.927   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.405  -9.260   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.175 -10.594   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.405 -11.928   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.865 -11.928   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.095 -13.261   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.095 -10.594   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.865  -9.260   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.865  -6.593   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.095  -7.927   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       4.095  -5.259   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.555  -5.259   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.650  -6.505   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.126  -7.970   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.095  -9.114   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.571 -10.579   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -0.411  -8.794   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.442  -9.938   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.948  -9.618   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.092 -10.649   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      -5.426  -9.879   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      -5.106  -8.372   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      -3.574  -8.211   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       0.185  -6.029   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.061  -6.934   0.000  0.00  0.00           C+0
HETATM   29  S   UNK     0      -2.468  -6.308   0.000  0.00  0.00           S+1
HETATM   30  C   UNK     0      -2.629  -4.776   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -3.714  -7.213   0.000  0.00  0.00           O-1
HETATM   32  O   UNK     0       0.185  -4.489   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0       2.126  -2.549   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   39  N   UNK     0       4.924   1.777   0.000  0.00  0.00           N+0
HETATM   40  N   UNK     0       6.258  -0.533   0.000  0.00  0.00           N+0
HETATM   41  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0       4.924  -2.843   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   12                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10    5                                                       
CONECT   12    3   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   33                                                  
CONECT   16   15   17   27                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   26                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   22                                                       
CONECT   27   16   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   27   33                                                       
CONECT   33   32   15   34                                                  
CONECT   34   33   35   43                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   43                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   37   34                                                  
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

View in JSmol

Synonyms

Value	Source
2-(6-Amino-9H-purin-9-yl)-4-{[3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid	Generator
2-(6-Amino-9H-purin-9-yl)-4-{[3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-5-(methanesulphinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate	Generator
2-(6-Amino-9H-purin-9-yl)-4-{[3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-5-(methanesulphinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid	Generator

Chemical Formula

C₂₇H₂₇N₇O₈S

Average Mass

609.6100 Da

Monoisotopic Mass

609.16418 Da

IUPAC Name

2-(6-amino-9H-purin-9-yl)-4-{[3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate

Traditional Name

2-(6-aminopurin-9-yl)-4-{[3-(3H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate

CAS Registry Number

Not Available

SMILES

COC(=CC1=CC=C(O)C=C1)C(=O)OC1C(OC(=O)C=CC2=CN=CN2)C(C[S+](C)[O-])OC1N1C=NC2=C(N)N=CN=C12

InChI Identifier

InChI=1S/C27H27N7O8S/c1-39-18(9-15-3-6-17(35)7-4-15)27(37)42-23-22(41-20(36)8-5-16-10-29-12-30-16)19(11-43(2)38)40-26(23)34-14-33-21-24(28)31-13-32-25(21)34/h3-10,12-14,19,22-23,26,35H,11H2,1-2H3,(H,29,30)(H2,28,31,32)

InChI Key

JGGBEDSTDFEDDL-UHFFFAOYSA-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 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

5'-deoxyribonucleosides

Sub Class

Not Available

Direct Parent

5'-deoxyribonucleosides

Alternative Parents

Substituents

5'-deoxyribonucleoside
Coumaric acid ester
Cinnamic acid or derivatives
Coumaric acid or derivatives
Hydroxycinnamic acid or derivatives
Enol-phenylpyruvate
Cinnamic acid ester
Glycosyl compound
N-glycosyl compound
6-aminopurine
Pentose monosaccharide
Imidazopyrimidine
Purine
Aminopyrimidine
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Fatty acyl
Monocyclic benzene moiety
Imidolactam
Dicarboxylic acid or derivatives
Benzenoid
Monosaccharide
N-substituted imidazole
Pyrimidine
Tetrahydrofuran
Heteroaromatic compound
Enoate ester
Imidazole
Alpha,beta-unsaturated carboxylic ester
Azole
Sulfoxide
Carboxylic acid ester
Amino acid or derivatives
Oxacycle
Azacycle
Sulfinyl compound
Carboxylic acid derivative
Organoheterocyclic compound
Amine
Organic oxygen compound
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	0.33	ChemAxon
pKa (Strongest Acidic)	9.2	ChemAxon
pKa (Strongest Basic)	6.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	206.66 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	156.41 m³·mol⁻¹	ChemAxon
Polarizability	59.95 Å³	ChemAxon
Number of Rings	5	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

73807949

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate (NP0210984)

MOL for NP0210984 (2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate)

3D MOL for NP0210984 (2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate)

3D SDF for NP0210984 (2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate)

3D-SDF for NP0210984 (2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate)

PDB for NP0210984 (2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate)

3D PDB for NP0210984 (2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate)

SMILES for NP0210984 (2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate)

INCHI for NP0210984 (2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate)

Structure for NP0210984 (2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate)

3D Structure for NP0210984 (2-(6-aminopurin-9-yl)-4-{[3-(3h-imidazol-4-yl)prop-2-enoyl]oxy}-5-(methanesulfinylmethyl)oxolan-3-yl 3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate)