NP-MRD: Showing NP-Card for methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate (NP0259763)

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Record Information

Version

2.0

Created at

2022-09-08 01:44:27 UTC

Updated at

2022-09-08 01:44:27 UTC

NP-MRD ID

NP0259763

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

Methyl 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. methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate is found in Pseudophryne coriacea. Methyl 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

     RDKit          3D

 43 45  0  0  0  0  0  0  0  0999 V2000
    4.9037   -2.3571    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.0618    0.3758 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0394   -0.8104   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4048   -1.7464   -0.5635 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5151    0.5322   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4296    1.5962    0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435    0.9572   -0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2595    0.1560   -1.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570    0.2322   -0.1847 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6819   -0.2416    1.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7019   -1.7576    1.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595   -2.0814   -0.0395 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8709   -3.0139   -0.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9627   -0.8810   -0.5882 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0721   -0.4135    0.2657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1018    0.9944    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0996    1.9294   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9025    3.2556   -0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6378    3.6599   -0.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6158    2.7268   -0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7961    1.4033   -0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1279   -3.1233    0.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6209   -2.3989    1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4898   -2.5080   -0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1424    2.5928    0.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2970    1.4764    1.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4696    1.3325    0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1706    2.0382   -0.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5213   -0.8699   -1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0337    0.6329   -2.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821    0.1438    1.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3595    0.0745    1.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2973   -2.1120    2.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2987   -2.1874    1.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1524   -3.3117   -0.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5426   -3.9227   -0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717   -2.5995   -1.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1945   -0.8507   -1.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7025   -0.8982    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1123    1.5882    0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7098    3.9730   -0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4149    4.7090   -0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    3.1426   -0.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 14  9  1  0
 21 16  1  0
 21  9  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  6 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  0
 11 34  1  0
 13 35  1  0
 13 36  1  0
 13 37  1  0
 14 38  1  6
 15 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
M  END


  Mrv1533004261512342D          

 21 23  0  0  0  0            999 V2000
   -0.8989    3.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0887    3.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1816    2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582    1.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9918    2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622    1.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724    1.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427    0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0005    1.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6774    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -0.1470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9359   -0.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131   -0.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554   -0.6613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785   -0.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505    1.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5179    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317    2.9545    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  4  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  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  2  0  0  0  0
  8 20  1  0  0  0  0
 15 20  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0259763

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C(C)=CCC12CCN(C)C1NC1=CC=CC=C21

> <INCHI_IDENTIFIER>
InChI=1S/C17H22N2O2/c1-12(15(20)21-3)8-9-17-10-11-19(2)16(17)18-14-7-5-4-6-13(14)17/h4-8,16,18H,9-11H2,1-3H3

> <INCHI_KEY>
IENBNBOKQXSCQE-UHFFFAOYSA-N

> <FORMULA>
C17H22N2O2

> <MOLECULAR_WEIGHT>
286.375

> <EXACT_MASS>
286.168127956

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.975733121114814

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
3.30

> <JCHEM_LOGP>
2.885941433999999

> <ALOGPS_LOGS>
-2.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.000485670012345

> <JCHEM_PKA_STRONGEST_BASIC>
6.868108568119911

> <JCHEM_POLAR_SURFACE_AREA>
41.57

> <JCHEM_REFRACTIVITY>
85.14410000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 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                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0      -1.678   6.386   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.166   6.096   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.339   4.641   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.669   3.476   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.851   4.351   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.356   2.896   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.868   2.605   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.373   1.150   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.601   2.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.864   1.199   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       6.417  -0.274   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       7.347  -1.502   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.878  -0.305   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       3.650  -1.234   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       2.387  -0.354   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.887  -0.704   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.166   0.420   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.281   1.894   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.781   2.244   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.833   1.120   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.859   5.515   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   21                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13   20                                             
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    8   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19    8   15                                                  
CONECT   21    5                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Value	Source
Methyl 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

C₁₇H₂₂N₂O₂

Average Mass

286.3750 Da

Monoisotopic Mass

286.16813 Da

IUPAC Name

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

Traditional Name

methyl 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

COC(=O)C(C)=CCC12CCN(C)C1NC1=CC=CC=C21

InChI Identifier

InChI=1S/C17H22N2O2/c1-12(15(20)21-3)8-9-17-10-11-19(2)16(17)18-14-7-5-4-6-13(14)17/h4-8,16,18H,9-11H2,1-3H3

InChI Key

IENBNBOKQXSCQE-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
Methyl 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	3.3	ALOGPS
logP	2.89	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	16	ChemAxon
pKa (Strongest Basic)	6.87	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	41.57 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	85.14 m³·mol⁻¹	ChemAxon
Polarizability	31.98 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

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PDB ID

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ChEBI ID

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Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate (NP0259763)

MOL for NP0259763 (methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

3D MOL for NP0259763 (methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

3D SDF for NP0259763 (methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

3D-SDF for NP0259763 (methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

PDB for NP0259763 (methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

3D PDB for NP0259763 (methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

SMILES for NP0259763 (methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

INCHI for NP0259763 (methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

Structure for NP0259763 (methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)

3D Structure for NP0259763 (methyl 2-methyl-4-{1-methyl-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl}but-2-enoate)