NP-MRD: Showing NP-Card for (1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid (NP0145883)

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Record Information

Version

2.0

Created at

2022-09-02 01:10:08 UTC

Updated at

2022-09-02 01:10:09 UTC

NP-MRD ID

NP0145883

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid

Description

CARACASANDIAMIDE belongs to the class of organic compounds known as cyclobutane lignans. These are lignans with a structure characterized by to phenylpropanoid units coupled together through the C7-C7' and C8-C8' bonds, forming a cyclobutane ring with the C7, C7', C8', and C8 atoms. (1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid was first documented in 1999 (PMID: 10576697). Based on a literature review very few articles have been published on CARACASANDIAMIDE (PMID: 10447956).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022203102D          

 56 58  0  0  1  0            999 V2000
   -1.3109   -8.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1359   -8.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5484   -7.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3734   -7.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7859   -7.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3734   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7859   -5.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828   -5.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2972   -5.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2972   -6.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0117   -7.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7262   -6.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4407   -7.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1551   -6.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7262   -5.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4407   -5.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4407   -4.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3692   -3.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7817   -2.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3692    2.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1359   -7.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
  9 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  4  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 19 36  1  0  0  0  0
  7 36  1  0  0  0  0
 36 37  1  1  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 39 40  1  4  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
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  6 53  1  0  0  0  0
 53 54  2  0  0  0  0
  3 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
M  END

     RDKit          3D

120122  0  0  0  0  0  0  0  0999 V2000
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M  END


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M  END
> <DATABASE_ID>
NP0145883

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1OC)C1[C@H]([C@H](C1C1=CC=C(OC)C(OC)=C1)C(O)=NCCCCNC(=N)NCC=C(C)C)C(O)=NCCCCNC(=N)NCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C42H64N8O6/c1-27(2)17-23-49-41(43)47-21-11-9-19-45-39(51)37-35(29-13-15-31(53-5)33(25-29)55-7)36(30-14-16-32(54-6)34(26-30)56-8)38(37)40(52)46-20-10-12-22-48-42(44)50-24-18-28(3)4/h13-18,25-26,35-38H,9-12,19-24H2,1-8H3,(H,45,51)(H,46,52)(H3,43,47,49)(H3,44,48,50)/t35?,36?,37-,38+

> <INCHI_KEY>
RFPXODBPOYUIKB-UHUDKZBCSA-N

> <FORMULA>
C42H64N8O6

> <MOLECULAR_WEIGHT>
777.024

> <EXACT_MASS>
776.494881813

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
120

> <JCHEM_AVERAGE_POLARIZABILITY>
90.48973672506446

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S)-3,4-bis(3,4-dimethoxyphenyl)-N1,N2-bis({4-[N'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid

> <ALOGPS_LOGP>
4.12

> <JCHEM_LOGP>
1.786767954682606

> <ALOGPS_LOGS>
-4.69

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.9807566047137755

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.240106074059455

> <JCHEM_PKA_STRONGEST_BASIC>
12.4891099719714

> <JCHEM_POLAR_SURFACE_AREA>
197.91999999999996

> <JCHEM_REFRACTIVITY>
244.63940000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.60e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S)-3,4-bis(3,4-dimethoxyphenyl)-N1,N2-bis({4-[N'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.447 -15.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -3.987 -15.930   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -4.757 -14.596   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.297 -14.596   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.067 -13.263   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.297 -11.929   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.067 -10.595   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.555 -10.197   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -9.888 -10.967   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -9.888 -12.507   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -11.222 -13.277   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -12.556 -12.507   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0     -13.889 -13.277   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0     -15.223 -12.507   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -12.556 -10.967   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0     -13.889 -10.197   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0     -13.889  -8.657   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -11.222 -10.197   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -8.156  -8.709   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -8.926  -7.376   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -10.466  -7.376   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      -8.156  -6.042   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      -8.926  -4.708   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.156  -3.375   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.926  -2.041   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -8.156  -0.707   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      -8.926   0.626   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      -8.156   1.960   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      -6.616   1.960   0.000  0.00  0.00           N+0
HETATM   30  N   UNK     0      -8.926   3.294   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      -8.156   4.627   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -8.926   5.961   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -8.156   7.295   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -8.926   8.629   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -6.616   7.295   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -6.668  -9.108   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.335  -8.338   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -5.335  -6.798   0.000  0.00  0.00           O+0
HETATM   39  N   UNK     0      -4.001  -9.108   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0      -2.667  -8.338   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -1.334  -9.108   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.000  -8.338   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       1.334  -9.108   0.000  0.00  0.00           C+0
HETATM   44  N   UNK     0       2.667  -8.338   0.000  0.00  0.00           N+0
HETATM   45  C   UNK     0       4.001  -9.108   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0       4.001 -10.648   0.000  0.00  0.00           N+0
HETATM   47  N   UNK     0       5.335  -8.338   0.000  0.00  0.00           N+0
HETATM   48  C   UNK     0       6.668  -9.108   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       8.002  -8.338   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       9.336  -9.108   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      10.669  -8.338   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       9.336 -10.648   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -4.757 -11.929   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -3.987 -13.263   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -2.447 -13.263   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      -1.677 -14.596   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   54                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   53                                                  
CONECT    7    6    8   36                                                  
CONECT    8    7    9   19                                                  
CONECT    9    8   10   18                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15    9                                                       
CONECT   19    8   20   36                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   19    7   37                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50                                                            
CONECT   53    6   54                                                       
CONECT   54   53    3   55                                                  
CONECT   55   54   56                                                       
CONECT   56   55                                                            
MASTER        0    0    0    0    0    0    0    0   56    0  116    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₆₄N₈O₆

Average Mass

777.0240 Da

Monoisotopic Mass

776.49488 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1OC)C1[C@H]([C@H](C1C1=CC=C(OC)C(OC)=C1)C(O)=NCCCCNC(=N)NCC=C(C)C)C(O)=NCCCCNC(=N)NCC=C(C)C

InChI Identifier

InChI=1S/C42H64N8O6/c1-27(2)17-23-49-41(43)47-21-11-9-19-45-39(51)37-35(29-13-15-31(53-5)33(25-29)55-7)36(30-14-16-32(54-6)34(26-30)56-8)38(37)40(52)46-20-10-12-22-48-42(44)50-24-18-28(3)4/h13-18,25-26,35-38H,9-12,19-24H2,1-8H3,(H,45,51)(H,46,52)(H3,43,47,49)(H3,44,48,50)/t35?,36?,37-,38+

InChI Key

RFPXODBPOYUIKB-UHUDKZBCSA-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 cyclobutane lignans. These are lignans with a structure characterized by to phenylpropanoid units coupled together through the C7-C7' and C8-C8' bonds, forming a cyclobutane ring with the C7, C7', C8', and C8 atoms.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Cyclobutane lignans

Sub Class

Not Available

Direct Parent

Cyclobutane lignans

Alternative Parents

Substituents

Cyclobutane lignan skeleton
Dibenzylbutane lignan skeleton
Stilbene
O-dimethoxybenzene
Dimethoxybenzene
Anisole
Methoxybenzene
Phenoxy compound
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Carboxamide group
Guanidine
Secondary carboxylic acid amide
Organic 1,3-dipolar compound
Carboxylic acid derivative
Ether
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Carbonyl group
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	4.12	ALOGPS
logS	-4.7	ALOGPS

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

23191713

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44336401

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Delle Monache G, Volpe AR, Delle Monache F, Vitali A, Botta B, Espinal R, De Bonnevaux SC, De Luca C, Botta M, Corelli F, Carmignani M: Further hypotensive metabolites from Verbesina caracasana. Bioorg Med Chem Lett. 1999 Nov 15;9(22):3249-54. doi: 10.1016/s0960-894x(99)00569-7. [PubMed:10576697 ]
Carmignani M, Volpe AR, Delle Monache F, Botta B, Espinal R, De Bonnevaux SC, De Luca C, Botta M, Corelli F, Tafi A, Ripanti G, Monache GD: Novel hypotensive agents from Verbesina caracasana. 6. Synthesis and pharmacology of caracasandiamide. J Med Chem. 1999 Aug 12;42(16):3116-25. doi: 10.1021/jm991004l. [PubMed:10447956 ]
LOTUS database [Link]

Showing NP-Card for (1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid (NP0145883)

MOL for NP0145883 ((1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid)

3D MOL for NP0145883 ((1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid)

3D SDF for NP0145883 ((1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid)

3D-SDF for NP0145883 ((1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid)

PDB for NP0145883 ((1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid)

3D PDB for NP0145883 ((1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid)

SMILES for NP0145883 ((1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid)

INCHI for NP0145883 ((1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid)

Structure for NP0145883 ((1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid)

3D Structure for NP0145883 ((1r,2s)-3,4-bis(3,4-dimethoxyphenyl)-n1,n2-bis({4-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]butyl})cyclobutane-1,2-dicarboximidic acid)