NP-MRD: Showing NP-Card for methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate (NP0238131)

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Record Information

Version

2.0

Created at

2022-09-06 21:27:50 UTC

Updated at

2022-09-06 21:27:50 UTC

NP-MRD ID

NP0238131

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate

Description

Methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]Octadeca-2,4,6,14-tetraene-4-carboxylate belongs to the class of organic compounds known as homoerythrinane alkaloids. These are erythrina alkaloids predominantly possessing a 6-5-7-6-membered indolobenzazepine skeleton or a derivative thereof. Based on a literature review very few articles have been published on methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]Octadeca-2,4,6,14-tetraene-4-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 51  0  0  0  0  0  0  0  0999 V2000
    4.0190    3.6774   -0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2270    2.4972   -0.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    1.2473    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9953    1.1122    0.1773 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179    0.0409    0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540    0.1717   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717   -0.8952    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -2.1432    0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6134   -2.2108    0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4377   -1.1682    0.3283 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5957   -3.4563    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5269   -3.4291    1.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116   -2.1749    1.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6115   -1.5223    0.2126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226   -2.2894   -0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1311   -1.6952   -2.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0864   -0.2640   -1.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903    0.8953   -2.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719    2.1696   -1.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    1.8936   -0.0882 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6988    3.0187    0.7359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9944    3.3717    1.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0776    0.7662    0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7278   -0.4332   -0.1759 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0174    3.3522   -0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449    4.4438   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2133    4.1174    0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1796    1.1709   -0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0530   -3.1839    0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3737   -3.9482   -0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021   -4.1467    0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160   -4.3122    1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0876   -3.5906    2.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2806   -2.4256    1.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8228   -1.4381    2.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0092   -2.0617   -1.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716   -3.3614   -0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6970   -1.8299   -3.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1431   -2.1699   -2.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510    0.9543   -3.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1685    2.6104   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8264    2.9636   -1.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053    1.5851   -0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9475    4.2687    1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4840    2.5186    1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793    3.6841    0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258    0.4872    1.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2054    1.1316    1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 21  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  2  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11  8  1  0
  8  7  2  0
  7  6  1  0
  6  5  2  0
  5 10  1  0
 10  9  2  0
  5  3  1  0
  3  4  2  0
  3  2  1  0
  2  1  1  0
  7 24  1  0
 24 23  1  1
 23 20  1  0
 24 17  1  0
 24 14  1  0
  9  8  1  0
 22 44  1  0
 22 45  1  0
 22 46  1  0
 20 43  1  6
 19 41  1  0
 19 42  1  0
 18 40  1  0
 16 38  1  0
 16 39  1  0
 15 36  1  0
 15 37  1  0
 13 34  1  0
 13 35  1  0
 12 32  1  0
 12 33  1  0
 11 30  1  0
 11 31  1  0
  6 28  1  0
  9 29  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 23 47  1  0
 23 48  1  0
M  END


  Mrv1652309062223282D          

 24 27  0  0  0  0            999 V2000
    5.9951   -0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5541   -0.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7298   -0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3465   -0.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540    0.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4644    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0234    1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4067    1.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310    1.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6721    1.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1865    1.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2623    0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7136    0.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8432    0.0893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4431   -0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6333   -0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330    0.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9294    1.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6772    1.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494    2.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0737    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529    1.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808    0.6928    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  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 17 24  1  0  0  0  0
  7 24  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0238131

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC=C2CCN3CCCC4=C(C=C(N=C4)C(=O)OC)C23C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H24N2O3/c1-23-15-6-5-14-7-9-21-8-3-4-13-12-20-17(18(22)24-2)10-16(13)19(14,21)11-15/h5,10,12,15H,3-4,6-9,11H2,1-2H3

> <INCHI_KEY>
OHBQZXBAGISRFS-UHFFFAOYSA-N

> <FORMULA>
C19H24N2O3

> <MOLECULAR_WEIGHT>
328.412

> <EXACT_MASS>
328.178692641

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
35.76244337798384

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0^{1,14}.0^{2,7}]octadeca-2(7),3,5,14-tetraene-4-carboxylate

> <JCHEM_LOGP>
1.841222025

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.948494906231572

> <JCHEM_POLAR_SURFACE_AREA>
51.66

> <JCHEM_REFRACTIVITY>
92.80160000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0^{1,14}.0^{2,7}]octadeca-2(7),3,5,14-tetraene-4-carboxylate

> <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      11.191  -1.635   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.368  -0.334   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       8.829  -0.396   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       8.113  -1.760   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.127   0.725   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.467   0.843   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.644   2.145   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.359   3.508   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.898   3.571   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       8.721   2.269   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       7.815   2.993   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.956   1.416   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.932   0.192   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       5.307   0.167   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       4.560  -1.180   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.049  -0.886   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.862   0.643   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.600   1.526   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.735   3.061   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.131   3.711   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.265   5.245   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.004   6.129   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.392   2.827   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.257   1.293   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   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   24                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9    5                                                       
CONECT   11    8   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   24                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   24                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24                                                       
CONECT   24   23   17    7   14                                             
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Value	Source
Methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0,.0,]octadeca-2,4,6,14-tetraene-4-carboxylic acid	Generator

Chemical Formula

C₁₉H₂₄N₂O₃

Average Mass

328.4120 Da

Monoisotopic Mass

328.17869 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1CC=C2CCN3CCCC4=C(C=C(N=C4)C(=O)OC)C23C1

InChI Identifier

InChI=1S/C19H24N2O3/c1-23-15-6-5-14-7-9-21-8-3-4-13-12-20-17(18(22)24-2)10-16(13)19(14,21)11-15/h5,10,12,15H,3-4,6-9,11H2,1-2H3

InChI Key

OHBQZXBAGISRFS-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 homoerythrinane alkaloids. These are erythrina alkaloids predominantly possessing a 6-5-7-6-membered indolobenzazepine skeleton or a derivative thereof.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Erythrina alkaloids

Sub Class

Homoerythrinane alkaloids

Direct Parent

Homoerythrinane alkaloids

Alternative Parents

Substituents

Heteroaromatic homoerythrinane skeleton
5-alkyl-2-carboxypyrimidine
Indole or derivatives
Pyridine carboxylic acid
Pyridine carboxylic acid or derivatives
Azepine
Aralkylamine
Pyridine
N-alkylpyrrolidine
Heteroaromatic compound
Pyrrolidine
Methyl ester
Carboxylic acid ester
Amino acid or derivatives
Tertiary amine
Tertiary aliphatic amine
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Azacycle
Carboxylic acid derivative
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Amine
Organic nitrogen 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

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

14081834

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate (NP0238131)

MOL for NP0238131 (methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate)

3D MOL for NP0238131 (methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate)

3D SDF for NP0238131 (methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate)

3D-SDF for NP0238131 (methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate)

PDB for NP0238131 (methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate)

3D PDB for NP0238131 (methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate)

SMILES for NP0238131 (methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate)

INCHI for NP0238131 (methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate)

Structure for NP0238131 (methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate)

3D Structure for NP0238131 (methyl 17-methoxy-5,11-diazatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4-carboxylate)