NP-MRD: Showing NP-Card for n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid (NP0234563)

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Record Information

Version

2.0

Created at

2022-09-06 16:40:05 UTC

Updated at

2022-09-06 16:40:06 UTC

NP-MRD ID

NP0234563

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid

Description

Halichonadin A belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. Based on a literature review very few articles have been published on Halichonadin A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062218402D          

 34 37  0  0  1  0            999 V2000
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3941   -1.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0026   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6670   -0.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7171   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  4  0  0  0
 16 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 31  1  6  0  0  0
 19 33  1  0  0  0  0
 26 33  1  0  0  0  0
 14 34  1  0  0  0  0
 34  2  1  1  0  0  0
  6 34  1  0  0  0  0
M  END

     RDKit          3D

 86 89  0  0  0  0  0  0  0  0999 V2000
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    0.1607   -0.0942   -1.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9146   -0.1956    0.2497 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1063    1.3287    0.1150 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5096    2.0532    1.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629    3.5322    0.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2351    1.8103    2.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6152    4.0573    2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7355    1.7645    1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6935    0.8742    1.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4728   -2.1490    1.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309062218402D          

 34 37  0  0  1  0            999 V2000
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  4  0  0  0
 16 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 31  1  6  0  0  0
 19 33  1  0  0  0  0
 26 33  1  0  0  0  0
 14 34  1  0  0  0  0
 34  2  1  1  0  0  0
  6 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0234563

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2[C@H]1NC(O)=N[C@H]1[C@@H](CC[C@@]2(C)CCCC(=C)[C@H]12)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C31H52N2O/c1-19(2)23-13-17-30(7)15-9-11-21(5)25(30)27(23)32-29(34)33-28-24(20(3)4)14-18-31(8)16-10-12-22(6)26(28)31/h19-20,23-28H,5-6,9-18H2,1-4,7-8H3,(H2,32,33,34)/t23-,24-,25+,26+,27-,28-,30+,31+/m0/s1

> <INCHI_KEY>
GLGGFIQLLRHAHL-TUNVIMSOSA-N

> <FORMULA>
C31H52N2O

> <MOLECULAR_WEIGHT>
468.77

> <EXACT_MASS>
468.407964302

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
57.44777298358959

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N,N'-bis[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-yl]carbamimidic acid

> <JCHEM_LOGP>
6.794605779216452

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.7113236023413156

> <JCHEM_PKA_STRONGEST_BASIC>
15.000000000986143

> <JCHEM_POLAR_SURFACE_AREA>
44.620000000000005

> <JCHEM_REFRACTIVITY>
143.17090000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N,N'-bis[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.337   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.337   3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.670   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.004   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.004   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.338  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      17.338  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      18.672   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      14.670  -2.310   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      17.536  -3.241   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      16.004  -4.620   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      17.338  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.672  -4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      18.672  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      20.005  -2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      18.045  -1.673   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      20.005  -5.390   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      20.005  -6.930   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      18.672  -7.700   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.005  -8.470   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      18.672  -9.240   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.337   0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   34                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   34                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   10   15   34                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   33                                                  
CONECT   20   19   21   24                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   20   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28   33                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   19   26                                                  
CONECT   34   14    2    6                                                  
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₅₂N₂O

Average Mass

468.7700 Da

Monoisotopic Mass

468.40796 Da

IUPAC Name

N,N'-bis[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-yl]carbamimidic acid

Traditional Name

N,N'-bis[(1S,2S,4aR,8aS)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid

CAS Registry Number

Not Available

SMILES

CC(C)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2[C@H]1NC(O)=N[C@H]1[C@@H](CC[C@@]2(C)CCCC(=C)[C@H]12)C(C)C

InChI Identifier

InChI=1S/C31H52N2O/c1-19(2)23-13-17-30(7)15-9-11-21(5)25(30)27(23)32-29(34)33-28-24(20(3)4)14-18-31(8)16-10-12-22(6)26(28)31/h19-20,23-28H,5-6,9-18H2,1-4,7-8H3,(H2,32,33,34)/t23-,24-,25+,26+,27-,28-,30+,31+/m0/s1

InChI Key

GLGGFIQLLRHAHL-TUNVIMSOSA-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 eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids

Alternative Parents

Substituents

Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid
Urea
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	6.79	ChemAxon
pKa (Strongest Acidic)	-1.7	ChemAxon
pKa (Strongest Basic)	15	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	44.62 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	143.17 m³·mol⁻¹	ChemAxon
Polarizability	57.45 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

9469312

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11294327

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid (NP0234563)

MOL for NP0234563 (n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid)

3D MOL for NP0234563 (n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid)

3D SDF for NP0234563 (n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid)

3D-SDF for NP0234563 (n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid)

PDB for NP0234563 (n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid)

3D PDB for NP0234563 (n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid)

SMILES for NP0234563 (n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid)

INCHI for NP0234563 (n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid)

Structure for NP0234563 (n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid)

3D Structure for NP0234563 (n,n'-bis[(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl]carbamimidic acid)