NP-MRD: Showing NP-Card for methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate (NP0320567)

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Record Information

Version

2.0

Created at

2022-09-11 22:17:23 UTC

Updated at

2022-09-11 22:17:23 UTC

NP-MRD ID

NP0320567

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate

Description

Pandamarilactonine-H belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate is found in Pandanus amaryllifolius. methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate was first documented in 2010 (PMID: 20701299). Based on a literature review very few articles have been published on Pandamarilactonine-H.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 45  0  0  0  0  0  0  0  0999 V2000
   -6.3628    0.6710   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0814    1.1612   -0.3646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0217    1.2131    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3123    0.7706    1.6878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6782    1.6814    0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6802    0.7722   -0.3047 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0104    0.2904   -1.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370   -1.1080   -1.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2665   -1.4259   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4666   -0.4391    0.4135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4976   -0.5512    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7564   -1.3033    1.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5288   -0.7117   -0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478   -1.5194   -0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9446   -0.9962   -0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2937    0.3739    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6090    0.5057    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2994    1.8080    0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2153   -0.7860   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4553   -1.0069   -0.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1699   -1.6702   -0.4286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5148    0.6008    1.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1318    1.2841   -0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4478   -0.3514   -0.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2595    2.0383    1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7441    2.6303   -0.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7104    1.3206   -0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514    0.9746   -2.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0536    0.2202   -2.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6046   -1.2274   -1.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9869   -1.8281   -2.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2885   -1.3967    0.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530   -2.4790    0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1798    0.4763    1.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582   -0.9774    2.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252   -2.3751    0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350   -1.2066    1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    0.3321    0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9017   -0.6760   -1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6563   -2.5642   -0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5936    1.1852    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3950    1.5912    0.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    2.4952   -0.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9418    2.2036    1.2354 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 21  1  0
 21 19  1  0
 19 20  2  0
 19 17  1  0
 17 18  1  0
 17 16  2  0
 10  6  1  0
 16 15  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  6
  7 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 13 39  1  0
 14 40  1  0
 18 42  1  0
 18 43  1  0
 18 44  1  0
 16 41  1  0
M  END


  Mrv1652309122200172D          

 21 22  0  0  1  0            999 V2000
    2.0912   -1.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767   -1.7381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767   -2.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0912   -2.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6622   -2.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6622   -3.8006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3297   -4.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747   -5.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2497   -5.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -4.2856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7898   -4.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9614   -3.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7460   -2.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175   -2.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7021   -1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3696   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0370   -1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8216   -2.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7821   -1.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2670   -0.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9571   -1.1222    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
  3  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  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
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0320567

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C[C@@H]1CCCN1CCC\C=C1\OC(=O)C(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H23NO4/c1-12-10-14(21-16(12)19)7-3-4-8-17-9-5-6-13(17)11-15(18)20-2/h7,10,13H,3-6,8-9,11H2,1-2H3/b14-7+/t13-/m0/s1

> <INCHI_KEY>
NJJCMBJNEBNBQQ-PZMUVPOTSA-N

> <FORMULA>
C16H23NO4

> <MOLECULAR_WEIGHT>
293.363

> <EXACT_MASS>
293.162708225

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
32.014722170321406

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 2-[(2S)-1-{4-[(2E)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate

> <JCHEM_LOGP>
2.0266667796666678

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.636695888135813

> <JCHEM_POLAR_SURFACE_AREA>
55.84

> <JCHEM_REFRACTIVITY>
81.6625

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl [(2S)-1-{4-[(2E)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       3.904  -2.475   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.570  -3.245   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.570  -4.785   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.904  -5.555   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.236  -5.555   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.236  -7.095   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.482  -8.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.006  -9.464   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.466  -9.464   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -0.010  -8.000   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -1.474  -7.524   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.795  -6.017   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.259  -5.542   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.579  -4.035   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.044  -3.559   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.290  -4.465   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -7.536  -3.559   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -9.000  -4.035   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -7.060  -2.095   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -7.965  -0.849   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.520  -2.095   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    6   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   15                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₃NO₄

Average Mass

293.3630 Da

Monoisotopic Mass

293.16271 Da

IUPAC Name

methyl 2-[(2S)-1-{4-[(2E)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate

Traditional Name

methyl [(2S)-1-{4-[(2E)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate

CAS Registry Number

Not Available

SMILES

COC(=O)C[C@@H]1CCCN1CCC\C=C1\OC(=O)C(C)=C1

InChI Identifier

InChI=1S/C16H23NO4/c1-12-10-14(21-16(12)19)7-3-4-8-17-9-5-6-13(17)11-15(18)20-2/h7,10,13H,3-6,8-9,11H2,1-2H3/b14-7+/t13-/m0/s1

InChI Key

NJJCMBJNEBNBQQ-PZMUVPOTSA-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
Pandanus amaryllifolius	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Dihydrofurans

Sub Class

Furanones

Direct Parent

Butenolides

Alternative Parents

Substituents

2-furanone
Dicarboxylic acid or derivatives
N-alkylpyrrolidine
Enol ester
Pyrrolidine
Methyl ester
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Amino acid or derivatives
Tertiary aliphatic amine
Tertiary amine
Carboxylic acid ester
Lactone
Oxacycle
Azacycle
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Carbonyl group
Amine
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	2.03	ChemAxon
pKa (Strongest Basic)	9.64	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	55.84 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	81.66 m³·mol⁻¹	ChemAxon
Polarizability	32.01 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

25048595

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

46919588

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Tan MA, Kitajima M, Kogure N, Nonato MG, Takayama H: Isolation of pandamarilactonine-H from the roots of Pandanus amaryllifolius and synthesis of epi-pandamarilactonine-H. J Nat Prod. 2010 Aug 27;73(8):1453-5. doi: 10.1021/np1003998. [PubMed:20701299 ]
LOTUS database [Link]

Showing NP-Card for methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate (NP0320567)

MOL for NP0320567 (methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate)

3D MOL for NP0320567 (methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate)

3D SDF for NP0320567 (methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate)

3D-SDF for NP0320567 (methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate)

PDB for NP0320567 (methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate)

3D PDB for NP0320567 (methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate)

SMILES for NP0320567 (methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate)

INCHI for NP0320567 (methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate)

Structure for NP0320567 (methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate)

3D Structure for NP0320567 (methyl 2-[(2s)-1-{4-[(2e)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]acetate)