NP-MRD: Showing NP-Card for n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid (NP0255557)

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Record Information

Version

1.0

Created at

2022-09-07 20:06:01 UTC

Updated at

2022-09-07 20:06:01 UTC

NP-MRD ID

NP0255557

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid

Description

N-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]Dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid belongs to the class of organic compounds known as pyrrolo[4,3,2-de]quinolines. These are organic heterocyclic compounds with a structure based on the Pyrrolo[4,3,2-de]quinoline skeleton. Based on a literature review very few articles have been published on N-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]Dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
   -4.7127   -3.4191   -0.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7027   -2.4032   -0.5124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6351   -1.7298   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7015   -0.3616   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886    0.4131    0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6299    1.8065    0.4511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0100    2.6783   -0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9957    4.1069   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4169    2.2839   -1.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3679   -0.2566    0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924    0.3555    0.4835 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9672   -0.3532    0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101    0.3543    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1574    1.5984    0.9690 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5150   -0.2742    0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5931    0.4458    1.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8152   -0.1936    1.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7194   -0.0312   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0184   -1.7137    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1799   -2.3742    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6010   -3.6536   -0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9634   -3.6437   -0.4089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4153   -2.3905   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3117   -1.6075    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6792    0.1174   -0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8088    4.2456    0.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1286    4.7824   -0.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0297    4.2753    0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4053    2.1940   -1.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2027    1.3749    0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5985   -1.3506    0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4971    1.5048    1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6432   -0.5895    0.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1454   -0.4046   -0.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8578    1.0453   -0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8933   -2.3213    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0480   -4.5107   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 16  1  0
 16 15  2  0
 15 13  1  0
 13 14  2  0
 13 12  1  0
 12 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 10  2  0
 10 11  1  0
 10  5  1  0
  5  4  2  0
  4  3  1  0
  3  2  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
 11 12  1  0
 24 20  1  0
  3 23  1  0
 18 33  1  0
 18 34  1  0
 18 35  1  0
 16 32  1  0
 15 31  1  0
 19 36  1  0
 21 37  1  0
 11 30  1  0
  4 25  1  0
  2  1  1  0
  8 26  1  0
  8 27  1  0
  8 28  1  0
  9 29  1  0
M  END


  Mrv1652309072222062D          

 23 25  0  0  0  0            999 V2000
   -1.0647    1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1509    0.7780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5697   -0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0978   -1.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0115   -1.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514   -0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9377    0.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6913    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9463    1.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.2639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7799    0.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4473    0.6287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8661   -0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987   -1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3141   -1.9785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793   -2.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1947   -3.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7290   -1.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2725   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5189   -1.1617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588   -0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  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
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 16  1  4  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 22  1  0  0  0  0
 21 23  2  0  0  0  0
  9 23  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0255557

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC=CC(=O)C1=CC2=CN=C3C2=C(N1)C(=CC3=N)N=C(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C16H14N4O3/c1-8(21)19-12-6-10(17)15-14-9(7-18-15)5-11(20-16(12)14)13(22)3-4-23-2/h3-7,17,20H,1-2H3,(H,19,21)

> <INCHI_KEY>
CIKGKOXFNOXNHH-UHFFFAOYSA-N

> <FORMULA>
C16H14N4O3

> <MOLECULAR_WEIGHT>
310.313

> <EXACT_MASS>
310.106590327

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
31.87362781778529

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid

> <JCHEM_LOGP>
-2.232647410718501

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
9.302166793069416

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.1029108450514635

> <JCHEM_PKA_STRONGEST_BASIC>
8.008571684412736

> <JCHEM_POLAR_SURFACE_AREA>
111.42000000000002

> <JCHEM_REFRACTIVITY>
97.02080000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
N-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.987   2.984   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.148   1.452   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.902   0.547   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.063  -0.984   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.182  -1.890   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.021  -3.421   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.589  -1.263   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.750   0.268   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.157   0.895   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.633   2.359   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       5.173   2.359   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       5.649   0.895   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.056   0.268   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       8.302   1.174   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       7.217  -1.263   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.971  -2.168   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       6.186  -3.693   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       7.615  -4.269   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.830  -5.794   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.827  -3.320   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.242  -1.542   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       2.835  -2.168   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       4.403  -0.010   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   22                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   23                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   23                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   16   22   23                                                  
CONECT   22   21    7                                                       
CONECT   23   21    9   12                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
N-[11-Imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0,]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidate	Generator

Chemical Formula

C₁₆H₁₄N₄O₃

Average Mass

310.3130 Da

Monoisotopic Mass

310.10659 Da

IUPAC Name

N-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid

Traditional Name

N-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid

CAS Registry Number

Not Available

SMILES

COC=CC(=O)C1=CC2=CN=C3C2=C(N1)C(=CC3=N)N=C(C)O

InChI Identifier

InChI=1S/C16H14N4O3/c1-8(21)19-12-6-10(17)15-14-9(7-18-15)5-11(20-16(12)14)13(22)3-4-23-2/h3-7,17,20H,1-2H3,(H,19,21)

InChI Key

CIKGKOXFNOXNHH-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 pyrrolo[4,3,2-de]quinolines. These are organic heterocyclic compounds with a structure based on the Pyrrolo[4,3,2-de]quinoline skeleton.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Pyrroloquinolines

Direct Parent

Pyrrolo[4,3,2-de]quinolines

Alternative Parents

Substituents

Pyrrolo[4,3,2-de]quinoline
N-acetylarylamine
Indole or derivatives
Indole
Aryl ketone
N-arylamide
Benzenoid
Pyridine
Heteroaromatic compound
Acetamide
Vinylogous ester
Alpha,beta-unsaturated ketone
Pyrrole
Enone
Acryloyl-group
Secondary carboxylic acid amide
Ketone
Carboxamide group
Azacycle
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
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	-2.2	ChemAxon
pKa (Strongest Acidic)	2.1	ChemAxon
pKa (Strongest Basic)	8.01	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	111.42 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	97.02 m³·mol⁻¹	ChemAxon
Polarizability	31.87 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

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KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

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Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

162816700

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid (NP0255557)

MOL for NP0255557 (n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid)

3D MOL for NP0255557 (n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid)

3D SDF for NP0255557 (n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid)

3D-SDF for NP0255557 (n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid)

PDB for NP0255557 (n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid)

3D PDB for NP0255557 (n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid)

SMILES for NP0255557 (n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid)

INCHI for NP0255557 (n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid)

Structure for NP0255557 (n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid)

3D Structure for NP0255557 (n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid)