NP-MRD: Showing NP-Card for n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide (NP0195295)

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Record Information

Version

2.0

Created at

2022-09-04 13:07:38 UTC

Updated at

2022-09-04 13:07:38 UTC

NP-MRD ID

NP0195295

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide

Description

N-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-2,5-dihydrofuran-3-yl}ethyl)-3-methylbut-2-enamide belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide is found in Antillogorgia bipinnata. N-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-2,5-dihydrofuran-3-yl}ethyl)-3-methylbut-2-enamide is a strong basic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004171508142D          

 32 33  0  0  0  0            999 V2000
   -0.8715   -1.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -1.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -2.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3850   -3.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -2.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1799   -2.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4099   -3.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 O   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
   -0.6674    1.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5494    3.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8044    4.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454    4.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6165    3.7038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1686    4.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755    4.1454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    4.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2305    3.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465   -1.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3986   -0.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -1.9957    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 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  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 23  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 10 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END


  Mrv1533004171508142D          

 32 33  0  0  0  0            999 V2000
   -0.8715   -1.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -1.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -2.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3850   -3.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -2.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1799   -2.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4099   -3.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 O   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
   -0.6674    1.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5494    3.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8044    4.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454    4.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6165    3.7038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1686    4.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755    4.1454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    4.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2305    3.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465   -1.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3986   -0.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -1.9957    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 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  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 23  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 10 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0195295

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1(OC(=O)C(C)=C1)C(C1OC(=O)C(CCC(=C(C)C)C(=O)N=CN(C)C)=C1)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C24H32N2O6/c1-14(2)18(21(27)25-13-26(6)7)10-9-17-11-19(31-23(17)29)20(15(3)4)24(30-8)12-16(5)22(28)32-24/h11-13,19-20H,3,9-10H2,1-2,4-8H3

> <INCHI_KEY>
HNESWBJNRLMABG-UHFFFAOYSA-N

> <FORMULA>
C24H32N2O6

> <MOLECULAR_WEIGHT>
444.528

> <EXACT_MASS>
444.226036758

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
48.02080016072447

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-2,5-dihydrofuran-3-yl}ethyl)-3-methylbut-2-enamide

> <ALOGPS_LOGP>
2.86

> <JCHEM_LOGP>
3.679226206

> <ALOGPS_LOGS>
-4.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.823676635395445

> <JCHEM_PKA_STRONGEST_BASIC>
3.3167617001669494

> <JCHEM_POLAR_SURFACE_AREA>
94.5

> <JCHEM_REFRACTIVITY>
121.54889999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.77e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5H-furan-3-yl}ethyl)-3-methylbut-2-enamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      -1.627  -2.261   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.120  -1.941   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.910  -3.085   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.156  -3.990   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.680  -5.455   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.585  -6.701   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.140  -5.455   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.336  -3.990   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.765  -6.701   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.941  -1.941   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.000  -0.000   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.246   2.445   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.465   2.016   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.941   3.481   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.910   4.625   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.386   6.090   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.892   6.410   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.923   5.265   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.368   7.874   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.355   7.234   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.831   8.699   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0      -1.151   6.914   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      -2.181   8.058   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      -3.688   7.738   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      -4.718   8.883   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.164   6.273   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.447  -2.261   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.477  -1.116   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.923  -3.725   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8   10                                             
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7    3                                                       
CONECT    9    7                                                            
CONECT   10    3   11   30                                                  
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15   11                                                       
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   19   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   10   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   66    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₃₂N₂O₆

Average Mass

444.5280 Da

Monoisotopic Mass

444.22604 Da

IUPAC Name

N-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-2,5-dihydrofuran-3-yl}ethyl)-3-methylbut-2-enamide

Traditional Name

N-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5H-furan-3-yl}ethyl)-3-methylbut-2-enamide

CAS Registry Number

Not Available

SMILES

COC1(OC(=O)C(C)=C1)C(C1OC(=O)C(CCC(=C(C)C)C(=O)N=CN(C)C)=C1)C(C)=C

InChI Identifier

InChI=1S/C24H32N2O6/c1-14(2)18(21(27)25-13-26(6)7)10-9-17-11-19(31-23(17)29)20(15(3)4)24(30-8)12-16(5)22(28)32-24/h11-13,19-20H,3,9-10H2,1-2,4-8H3

InChI Key

HNESWBJNRLMABG-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Antillogorgia bipinnata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Sesquiterpenoid
Ketal
2-furanone
Dicarboxylic acid or derivatives
Dihydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Lactone
N-acylimine
Oxacycle
Carboximidamide
Amidine
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organoheterocyclic compound
Carboxylic acid amidine
Carboxylic acid derivative
Acetal
Hydrocarbon derivative
Organic oxygen compound
Organopnictogen compound
Organonitrogen compound
Carbonyl group
Organic nitrogen compound
Organooxygen compound
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	2.86	ALOGPS
logP	3.68	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	11.82	ChemAxon
pKa (Strongest Basic)	3.32	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	94.5 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	121.55 m³·mol⁻¹	ChemAxon
Polarizability	48.02 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

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

72997211

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide (NP0195295)

MOL for NP0195295 (n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide)

3D MOL for NP0195295 (n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide)

3D SDF for NP0195295 (n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide)

3D-SDF for NP0195295 (n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide)

PDB for NP0195295 (n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide)

3D PDB for NP0195295 (n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide)

SMILES for NP0195295 (n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide)

INCHI for NP0195295 (n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide)

Structure for NP0195295 (n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide)

3D Structure for NP0195295 (n-[(dimethylamino)methylidene]-2-(2-{5-[1-(2-methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-en-1-yl]-2-oxo-5h-furan-3-yl}ethyl)-3-methylbut-2-enamide)