NP-MRD: Showing NP-Card for (7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid (NP0303746)

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Record Information

Version

2.0

Created at

2022-09-10 18:21:45 UTC

Updated at

2022-09-10 18:21:45 UTC

NP-MRD ID

NP0303746

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid

Description

(7S)-8,8,8-trichloro-2,7-dimethyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. Based on a literature review very few articles have been published on (7S)-8,8,8-trichloro-2,7-dimethyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 47  0  0  0  0  0  0  0  0999 V2000
   -0.4783   -1.6277   -0.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0997   -0.3929   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4085   -0.3116   -0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2716    0.7092    0.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069    0.6976    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4518   -0.2995   -0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3092    0.1861   -1.4328 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1166   -1.0111   -1.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2933    1.2509   -1.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    0.7054    0.1765 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3241    1.4952   -2.5609 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5816    2.8189   -0.7272 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8439    0.5200    0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2680    1.6770    1.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0912    0.4686    0.5516 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070   -0.2398    0.2076 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2586    0.6073   -0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5620    0.6258   -0.2888 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3182    1.4074   -0.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7196    2.1910   -1.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0750    1.7442   -1.7644 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177   -0.9206    1.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9901   -1.8979    2.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5029    0.0777    2.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0749   -2.2238   -0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821   -2.2945   -1.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0339   -1.3360   -1.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470   -1.1513   -0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8064    1.5537    0.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    1.5604    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1516   -0.7932    0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8615   -1.1505   -0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6999    0.5457   -2.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -1.8427   -1.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6251   -1.4337   -2.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1540   -0.7200   -2.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525    2.5765    0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0297   -1.0580   -0.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4158    1.4605   -0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2140    2.9080   -2.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7411   -1.5177    0.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9149   -2.7829    1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5089   -2.2599    2.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086   -1.4627    2.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5632    0.2509    2.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4712   -0.3710    3.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9880    1.0608    2.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
 23 22  1  0
 22 24  1  0
 22 16  1  0
 16 15  1  0
 15 13  2  0
 13 14  1  0
 13  2  1  0
  2  1  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 17  1  0
 23 42  1  0
 23 43  1  0
 23 44  1  0
 22 41  1  0
 24 45  1  0
 24 46  1  0
 24 47  1  0
 16 38  1  6
 14 37  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  4 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  6
  8 34  1  0
  8 35  1  0
  8 36  1  0
 19 39  1  0
 20 40  1  0
M  END


  Mrv1652309102220212D          

 24 24  0  0  1  0            999 V2000
   -1.5757    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    4.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    4.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    5.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    6.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    6.8893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5757    7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0046    7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7191    7.7143    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171    6.5873    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5921    8.0163    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    3.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  4  5  2  0  0  0  0
  5  6  1  4  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  4  0  0  0
 13 15  2  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  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
 17 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0303746

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@H](N=C(O)C(C)=CC=CC[C@H](C)C(Cl)(Cl)Cl)C1=NC=CS1

> <INCHI_IDENTIFIER>
InChI=1S/C17H23Cl3N2OS/c1-11(2)14(16-21-9-10-24-16)22-15(23)12(3)7-5-6-8-13(4)17(18,19)20/h5-7,9-11,13-14H,8H2,1-4H3,(H,22,23)/t13-,14-/m0/s1

> <INCHI_KEY>
SASMNYHOQIJNIJ-KBPBESRZSA-N

> <FORMULA>
C17H23Cl3N2OS

> <MOLECULAR_WEIGHT>
409.79

> <EXACT_MASS>
408.0596676

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
41.6734208640694

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(7S)-8,8,8-trichloro-2,7-dimethyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid

> <JCHEM_LOGP>
6.064888376000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.316537775347906

> <JCHEM_PKA_STRONGEST_BASIC>
2.8899334724686514

> <JCHEM_POLAR_SURFACE_AREA>
45.480000000000004

> <JCHEM_REFRACTIVITY>
106.6316

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(7S)-8,8,8-trichloro-2,7-dimethyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.941   5.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.608   6.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.608   8.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.941   9.010   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.941  10.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.275  11.320   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.275  12.860   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.941  13.630   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.609  13.630   0.000  0.00  0.00           C+0
HETATM   10 Cl   UNK     0      -6.942  14.400   0.000  0.00  0.00          Cl+0
HETATM   11 Cl   UNK     0      -6.379  12.296   0.000  0.00  0.00          Cl+0
HETATM   12 Cl   UNK     0      -4.839  14.964   0.000  0.00  0.00          Cl+0
HETATM   13  C   UNK     0      -0.274   5.930   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.060   6.700   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      -0.274   4.390   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       2.306   1.175   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM   21  S   UNK     0      -0.186   1.175   0.000  0.00  0.00           S+0
HETATM   22  C   UNK     0       2.393   4.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.727   3.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.393   5.930   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9                                                            
CONECT   13    2   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   22                                                  
CONECT   17   16   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   17                                                       
CONECT   22   16   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Value	Source
(7S)-8,8,8-Trichloro-2,7-dimethyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidate	Generator

Chemical Formula

C₁₇H₂₃Cl₃N₂OS

Average Mass

409.7900 Da

Monoisotopic Mass

408.05967 Da

IUPAC Name

(7S)-8,8,8-trichloro-2,7-dimethyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid

Traditional Name

(7S)-8,8,8-trichloro-2,7-dimethyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid

CAS Registry Number

Not Available

SMILES

CC(C)[C@H](N=C(O)C(C)=CC=CC[C@H](C)C(Cl)(Cl)Cl)C1=NC=CS1

InChI Identifier

InChI=1S/C17H23Cl3N2OS/c1-11(2)14(16-21-9-10-24-16)22-15(23)12(3)7-5-6-8-13(4)17(18,19)20/h5-7,9-11,13-14H,8H2,1-4H3,(H,22,23)/t13-,14-/m0/s1

InChI Key

SASMNYHOQIJNIJ-KBPBESRZSA-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 n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

N-acyl amines

Alternative Parents

Substituents

N-acyl-amine
Heteroaromatic compound
Thiazole
Azole
Secondary carboxylic acid amide
Carboxamide group
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Carbonyl group
Alkyl halide
Alkyl chloride
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	6.06	ChemAxon
pKa (Strongest Acidic)	5.32	ChemAxon
pKa (Strongest Basic)	2.89	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	45.48 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	106.63 m³·mol⁻¹	ChemAxon
Polarizability	41.67 Å³	ChemAxon
Number of Rings	1	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

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

162998171

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid (NP0303746)

MOL for NP0303746 ((7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid)

3D MOL for NP0303746 ((7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid)

3D SDF for NP0303746 ((7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid)

3D-SDF for NP0303746 ((7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid)

PDB for NP0303746 ((7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid)

3D PDB for NP0303746 ((7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid)

SMILES for NP0303746 ((7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid)

INCHI for NP0303746 ((7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid)

Structure for NP0303746 ((7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid)

3D Structure for NP0303746 ((7s)-8,8,8-trichloro-2,7-dimethyl-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid)