NP-MRD: Showing NP-Card for (1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid (NP0306037)

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Record Information

Version

2.0

Created at

2022-09-10 22:16:13 UTC

Updated at

2022-09-10 22:16:13 UTC

NP-MRD ID

NP0306037

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid

Description

Nigramide K belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. (1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid is found in Piper nigrum. Based on a literature review very few articles have been published on Nigramide K.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309112200162D          

 35 38  0  0  1  0            999 V2000
    4.7812    6.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    5.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    4.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    4.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    3.1729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7812    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    2.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2102    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6951    1.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    2.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6391    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0681    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.9354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7812    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   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    0.6979    0.0000 C   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
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    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  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  4  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 17 26  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  6  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
M  END


  Mrv1652309112200162D          

 35 38  0  0  1  0            999 V2000
    4.7812    6.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    5.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    4.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    4.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    3.1729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7812    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    2.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2102    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6951    1.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    2.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6391    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0681    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.9354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7812    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   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    0.6979    0.0000 C   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
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    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  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  4  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 17 26  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  6  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0306037

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC[C@@H]1C=C[C@@H]([C@H]([C@@H]1C1=CC=C2OCOC2=C1)C(=O)N1CCCCC1)C(O)=NCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C29H42N2O4/c1-4-5-7-10-21-11-13-23(28(32)30-18-20(2)3)27(29(33)31-15-8-6-9-16-31)26(21)22-12-14-24-25(17-22)35-19-34-24/h11-14,17,20-21,23,26-27H,4-10,15-16,18-19H2,1-3H3,(H,30,32)/t21-,23+,26+,27-/m1/s1

> <INCHI_KEY>
VKHVHOSTRKKSBV-USBINNKZSA-N

> <FORMULA>
C29H42N2O4

> <MOLECULAR_WEIGHT>
482.665

> <EXACT_MASS>
482.31445784

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
55.53917020549998

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4R,5R,6S)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid

> <JCHEM_LOGP>
4.827901598946668

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.668990002281935

> <JCHEM_PKA_STRONGEST_BASIC>
6.13109591824082

> <JCHEM_POLAR_SURFACE_AREA>
71.36000000000001

> <JCHEM_REFRACTIVITY>
139.30789999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4R,5R,6S)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       8.925  11.313   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.591  10.543   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.591   9.003   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.258   8.233   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.258   6.693   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.591   5.923   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.925   6.693   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.259   5.923   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.259   4.383   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.592   3.613   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      12.498   2.367   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      12.926   4.383   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      14.260   3.613   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.593   4.383   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.593   5.923   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.927   3.613   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.925   3.613   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.925   2.073   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       7.591   1.303   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0      10.259   1.303   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      11.592   2.073   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.926   1.303   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.926  -0.237   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.592  -1.007   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.259  -0.237   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.591   4.383   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       2.126   4.089   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.126   1.597   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   26                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   17                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    9   18   26                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   20                                                       
CONECT   26   17    6   27                                                  
CONECT   27   26   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31   27                                                       
CONECT   33   31   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   30                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₄₂N₂O₄

Average Mass

482.6650 Da

Monoisotopic Mass

482.31446 Da

IUPAC Name

(1S,4R,5R,6S)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid

Traditional Name

(1S,4R,5R,6S)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid

CAS Registry Number

Not Available

SMILES

CCCCC[C@@H]1C=C[C@@H]([C@H]([C@@H]1C1=CC=C2OCOC2=C1)C(=O)N1CCCCC1)C(O)=NCC(C)C

InChI Identifier

InChI=1S/C29H42N2O4/c1-4-5-7-10-21-11-13-23(28(32)30-18-20(2)3)27(29(33)31-15-8-6-9-16-31)26(21)22-12-14-24-25(17-22)35-19-34-24/h11-14,17,20-21,23,26-27H,4-10,15-16,18-19H2,1-3H3,(H,30,32)/t21-,23+,26+,27-/m1/s1

InChI Key

VKHVHOSTRKKSBV-USBINNKZSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Piper nigrum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzodioxoles

Sub Class

Not Available

Direct Parent

Benzodioxoles

Alternative Parents

Substituents

Benzodioxole
N-acyl-piperidine
Piperidine
Benzenoid
Tertiary carboxylic acid amide
Carboxamide group
Secondary carboxylic acid amide
Acetal
Carboxylic acid derivative
Oxacycle
Azacycle
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
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	4.83	ChemAxon
pKa (Strongest Acidic)	3.67	ChemAxon
pKa (Strongest Basic)	6.13	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	71.36 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	139.31 m³·mol⁻¹	ChemAxon
Polarizability	55.54 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

C00057590

Chemspider ID

9572428

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11397528

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid (NP0306037)

MOL for NP0306037 ((1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid)

3D MOL for NP0306037 ((1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid)

3D SDF for NP0306037 ((1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid)

3D-SDF for NP0306037 ((1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid)

PDB for NP0306037 ((1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid)

3D PDB for NP0306037 ((1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid)

SMILES for NP0306037 ((1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid)

INCHI for NP0306037 ((1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid)

Structure for NP0306037 ((1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid)

3D Structure for NP0306037 ((1s,4r,5r,6s)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboximidic acid)