NP-MRD: Showing NP-Card for 4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid (NP0231722)

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Record Information

Version

2.0

Created at

2022-09-06 12:42:33 UTC

Updated at

2022-09-06 12:42:33 UTC

NP-MRD ID

NP0231722

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid

Description

4-Methyl-2-(methylamino)-N-[2-(2,5,6-tribromo-1H-indol-3-yl)ethyl]pentanimidic acid belongs to the class of organic compounds known as leucine and derivatives. Leucine and derivatives are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on 4-methyl-2-(methylamino)-N-[2-(2,5,6-tribromo-1H-indol-3-yl)ethyl]pentanimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 47  0  0  0  0  0  0  0  0999 V2000
   -2.9170   -0.3840   -2.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4884    0.2391   -1.3063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6223   -0.1027   -0.1855 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1913    0.4366    1.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5433   -0.0834    1.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5824   -1.5812    1.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6126    0.3081    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3009    0.5141   -0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1887    1.9047   -0.6076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652   -0.2441   -0.5485 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0650    0.2685   -0.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7816    0.3039    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1441    0.8242    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5327    2.1135    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    3.5965   -0.0065 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8672    2.1059   -0.0818 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3463    0.8599    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6205    0.3393   -0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8590   -1.0124    0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6330   -1.7104    0.0294 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7678   -1.8267    0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0541   -3.7120    0.6121 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4871   -1.3241    0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779    0.0476    0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5981   -0.0984   -3.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7861   -1.4627   -2.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9194    0.0780   -2.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3692    1.2814   -1.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120   -1.1882   -0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4888    0.3511    1.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119    1.5490    0.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8184    0.3373    2.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6429   -1.8831    1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1553   -2.1171    0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0859   -1.8184    2.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5420    0.5578    1.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2812    1.2177   -0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8113   -0.5378   -0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310    2.2984   -1.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0741    1.2522   -1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6286   -0.4432   -1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155   -0.7284    0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    0.9024    1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4511    2.9363   -0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    0.9585   -0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6155   -1.9369    0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  3  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 13  1  0
 24 17  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  3 29  1  1
  4 30  1  0
  4 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  6 35  1  0
  7 36  1  0
  7 37  1  0
  7 38  1  0
  9 39  1  0
 11 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 16 44  1  0
 18 45  1  0
 23 46  1  0
M  END


  Mrv1652309062214422D          

 24 25  0  0  0  0            999 V2000
    6.2815   -0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -0.4386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2815   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7104   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960   -0.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8525   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8525   -2.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1381   -1.2636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215   -3.0487    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1015   -2.6681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6890   -1.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180   -1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3730   -0.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799   -0.8260    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1791   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    0.4002    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9860   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410   -1.3406    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  1  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  4  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  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  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 13 24  1  0  0  0  0
 17 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0231722

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CNC(CC(C)C)C(O)=NCCC1=C(Br)NC2=CC(Br)=C(Br)C=C12

> <INCHI_IDENTIFIER>
InChI=1S/C17H22Br3N3O/c1-9(2)6-15(21-3)17(24)22-5-4-10-11-7-12(18)13(19)8-14(11)23-16(10)20/h7-9,15,21,23H,4-6H2,1-3H3,(H,22,24)

> <INCHI_KEY>
PDSLVIZPXNGMCO-UHFFFAOYSA-N

> <FORMULA>
C17H22Br3N3O

> <MOLECULAR_WEIGHT>
524.095

> <EXACT_MASS>
520.931301

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
44.43569165239726

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-methyl-2-(methylamino)-N-[2-(2,5,6-tribromo-1H-indol-3-yl)ethyl]pentanimidic acid

> <JCHEM_LOGP>
2.990383991066122

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.541886439463216

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.0018435917570718

> <JCHEM_PKA_STRONGEST_BASIC>
9.012012227784565

> <JCHEM_POLAR_SURFACE_AREA>
60.41

> <JCHEM_REFRACTIVITY>
109.29060000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-methyl-2-(methylamino)-N-[2-(2,5,6-tribromo-1H-indol-3-yl)ethyl]pentanimidic 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      11.725  -0.049   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      10.392  -0.819   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      10.392  -2.359   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.725  -3.129   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.059  -2.359   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.393  -3.129   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.059  -0.819   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.058  -3.129   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       9.058  -4.669   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       7.724  -2.359   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       6.391  -3.129   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.057  -2.359   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.723  -3.129   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.562  -4.660   0.000  0.00  0.00           C+0
HETATM   15 Br   UNK     0       4.707  -5.691   0.000  0.00  0.00          Br+0
HETATM   16  N   UNK     0       2.056  -4.981   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       1.286  -3.647   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.220  -3.327   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.696  -1.862   0.000  0.00  0.00           C+0
HETATM   20 Br   UNK     0      -2.203  -1.542   0.000  0.00  0.00          Br+0
HETATM   21  C   UNK     0       0.334  -0.718   0.000  0.00  0.00           C+0
HETATM   22 Br   UNK     0      -0.142   0.747   0.000  0.00  0.00          Br+0
HETATM   23  C   UNK     0       1.841  -1.038   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.317  -2.502   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    3    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   24                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   24                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   13   17                                                  
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Value	Source
4-Methyl-2-(methylamino)-N-[2-(2,5,6-tribromo-1H-indol-3-yl)ethyl]pentanimidate	Generator

Chemical Formula

C₁₇H₂₂Br₃N₃O

Average Mass

524.0950 Da

Monoisotopic Mass

520.93130 Da

IUPAC Name

4-methyl-2-(methylamino)-N-[2-(2,5,6-tribromo-1H-indol-3-yl)ethyl]pentanimidic acid

Traditional Name

4-methyl-2-(methylamino)-N-[2-(2,5,6-tribromo-1H-indol-3-yl)ethyl]pentanimidic acid

CAS Registry Number

Not Available

SMILES

CNC(CC(C)C)C(O)=NCCC1=C(Br)NC2=CC(Br)=C(Br)C=C12

InChI Identifier

InChI=1S/C17H22Br3N3O/c1-9(2)6-15(21-3)17(24)22-5-4-10-11-7-12(18)13(19)8-14(11)23-16(10)20/h7-9,15,21,23H,4-6H2,1-3H3,(H,22,24)

InChI Key

PDSLVIZPXNGMCO-UHFFFAOYSA-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 leucine and derivatives. Leucine and derivatives are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Leucine and derivatives

Alternative Parents

Substituents

Leucine or derivatives
Alpha-amino acid amide
3-alkylindole
Indole
Indole or derivatives
Aryl bromide
Aryl halide
Fatty amide
N-acyl-amine
Fatty acyl
Substituted pyrrole
Benzenoid
Heteroaromatic compound
Pyrrole
Secondary carboxylic acid amide
Carboxamide group
Secondary amine
Organoheterocyclic compound
Secondary aliphatic amine
Azacycle
Amine
Organohalogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organobromide
Organonitrogen compound
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
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	2.99	ChemAxon
pKa (Strongest Acidic)	1	ChemAxon
pKa (Strongest Basic)	9.01	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	60.41 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	109.29 m³·mol⁻¹	ChemAxon
Polarizability	44.44 Å³	ChemAxon
Number of Rings	2	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

85104350

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid (NP0231722)

MOL for NP0231722 (4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid)

3D MOL for NP0231722 (4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid)

3D SDF for NP0231722 (4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid)

3D-SDF for NP0231722 (4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid)

PDB for NP0231722 (4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid)

3D PDB for NP0231722 (4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid)

SMILES for NP0231722 (4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid)

INCHI for NP0231722 (4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid)

Structure for NP0231722 (4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid)

3D Structure for NP0231722 (4-methyl-2-(methylamino)-n-[2-(2,5,6-tribromo-1h-indol-3-yl)ethyl]pentanimidic acid)