NP-MRD: Showing NP-Card for 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate (NP0205946)

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Record Information

Version

2.0

Created at

2022-09-05 02:00:07 UTC

Updated at

2022-09-05 02:00:07 UTC

NP-MRD ID

NP0205946

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate

Description

2-Methyl-4-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate is found in Pseudophryne coriacea. 2-Methyl-4-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241500142D          

 38 43  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004241500142D          

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    3.0204    2.9732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436    3.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5401    3.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9761    3.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    4.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190    4.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5830    4.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    6.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4525    3.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    2.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7871    2.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5905    2.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1545    3.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9151    4.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1117    4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5477    3.7646    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
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  4  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 17 29  1  0  0  0  0
 24 29  1  0  0  0  0
 14 30  1  0  0  0  0
  5 31  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
  5 38  1  0  0  0  0
 33 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0205946

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1CCC2(CC=C(C)COC(=O)C(C)=CCC34CCN(C)C3NC3=CC=CC=C43)C1NC1=CC=CC=C21

> <INCHI_IDENTIFIER>
InChI=1S/C32H40N4O2/c1-22(13-15-31-17-19-35(3)29(31)33-26-11-7-5-9-24(26)31)21-38-28(37)23(2)14-16-32-18-20-36(4)30(32)34-27-12-8-6-10-25(27)32/h5-14,29-30,33-34H,15-21H2,1-4H3

> <INCHI_KEY>
YOVOFAXXWGWGEI-UHFFFAOYSA-N

> <FORMULA>
C32H40N4O2

> <MOLECULAR_WEIGHT>
512.698

> <EXACT_MASS>
512.315126544

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
57.597593761754446

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methyl-4-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate

> <ALOGPS_LOGP>
5.48

> <JCHEM_LOGP>
5.438768791666666

> <ALOGPS_LOGS>
-4.55

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
16.000618012974996

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.000485669927187

> <JCHEM_PKA_STRONGEST_BASIC>
7.153383586501074

> <JCHEM_POLAR_SURFACE_AREA>
56.84

> <JCHEM_REFRACTIVITY>
157.31529999999992

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.44e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-4-{1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      -0.242   4.405   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -1.172   5.633   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -0.725   7.107   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.988   7.987   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.216   7.058   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.721   8.513   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.713   9.677   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.201   9.387   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.696   7.932   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.193  10.551   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.320  10.261   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.327  11.425   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.823  12.880   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.840  11.135   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.344   9.680   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.857   9.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.361   7.935   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.589   8.864   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.853   7.984   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       8.406   6.510   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       9.335   5.282   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.866   6.480   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       5.638   5.550   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       4.375   6.431   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.875   6.081   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.822   7.205   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.269   8.678   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.769   9.028   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.822   7.904   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.847  12.299   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.711   5.603   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      -3.939   4.673   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      -5.203   5.554   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.702   5.204   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -7.755   6.328   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -7.308   7.801   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.808   8.151   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -4.756   7.027   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   31   38                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   30                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   22   29                                             
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   17   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   17   24                                                  
CONECT   30   14                                                            
CONECT   31    5    2   32                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37    5   33                                                  
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

View in JSmol

Synonyms

Value	Source
2-Methyl-4-{1-methyl-1H,2H,3H,3ah,8H,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-1H,2H,3H,3ah,8H,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoic acid	Generator

Chemical Formula

C₃₂H₄₀N₄O₂

Average Mass

512.6980 Da

Monoisotopic Mass

512.31513 Da

IUPAC Name

2-methyl-4-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate

Traditional Name

2-methyl-4-{1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate

CAS Registry Number

Not Available

SMILES

CN1CCC2(CC=C(C)COC(=O)C(C)=CCC34CCN(C)C3NC3=CC=CC=C43)C1NC1=CC=CC=C21

InChI Identifier

InChI=1S/C32H40N4O2/c1-22(13-15-31-17-19-35(3)29(31)33-26-11-7-5-9-24(26)31)21-38-28(37)23(2)14-16-32-18-20-36(4)30(32)34-27-12-8-6-10-25(27)32/h5-14,29-30,33-34H,15-21H2,1-4H3

InChI Key

YOVOFAXXWGWGEI-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

Species Name	Source	Reference
Pseudophryne coriacea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Not Available

Sub Class

Not Available

Direct Parent

Alkaloids and derivatives

Alternative Parents

Substituents

Pseudophrynamine skeleton
Pyrroloindole
Indole
Indole or derivatives
Dihydroindole
Alkaloid or derivatives
Fatty acid ester
Secondary aliphatic/aromatic amine
Fatty acyl
Benzenoid
N-alkylpyrrolidine
Pyrrole
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Pyrrolidine
Carboxylic acid ester
Amino acid or derivatives
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Azacycle
Secondary amine
Organooxygen compound
Organonitrogen compound
Organic oxide
Amine
Organic nitrogen compound
Organopnictogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxygen 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	5.48	ALOGPS
logP	5.44	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	16	ChemAxon
pKa (Strongest Basic)	7.15	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	56.84 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	157.32 m³·mol⁻¹	ChemAxon
Polarizability	57.6 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate (NP0205946)

MOL for NP0205946 (2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

3D MOL for NP0205946 (2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

3D SDF for NP0205946 (2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

3D-SDF for NP0205946 (2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

PDB for NP0205946 (2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

3D PDB for NP0205946 (2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

SMILES for NP0205946 (2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

INCHI for NP0205946 (2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

Structure for NP0205946 (2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

3D Structure for NP0205946 (2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-en-1-yl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)