NP-MRD: Showing NP-Card for 4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide (NP0293348)

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Record Information

Version

2.0

Created at

2022-09-10 01:18:43 UTC

Updated at

2022-09-10 01:18:43 UTC

NP-MRD ID

NP0293348

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide

Description

4-Bromo-N-{[(2S,3R)-6-[(4E)-8-hydroxy-1H,4H,5H,6H-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-2,3-dihydro-1H-imidazol-4-yl)-5-oxo-1H,2H,3H,5H,6H-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1H-pyrrole-2-carboxamide belongs to the class of organic compounds known as pyrroloazepines. Pyrroloazepines are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom. 4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide is found in Stylissa carteri. Based on a literature review very few articles have been published on 4-bromo-N-{[(2S,3R)-6-[(4E)-8-hydroxy-1H,4H,5H,6H-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-2,3-dihydro-1H-imidazol-4-yl)-5-oxo-1H,2H,3H,5H,6H-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1H-pyrrole-2-carboxamide.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102203182D          

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M  END

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M  END


  Mrv1652309102203182D          

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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
  5 36  1  0  0  0  0
  2 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0293348

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=NCC\C(C2=C1NC=C2)=C1/N=C2N[C@@H]([C@@H](CNC(=O)C3=CC(Br)=CN3)N2C1=O)C1=CNC(=N)N1

> <INCHI_IDENTIFIER>
InChI=1S/C22H21BrN10O3/c23-9-5-12(27-6-9)18(34)28-8-14-17(13-7-29-21(24)30-13)32-22-31-16(20(36)33(14)22)11-2-4-26-19(35)15-10(11)1-3-25-15/h1,3,5-7,14,17,25,27H,2,4,8H2,(H,26,35)(H,28,34)(H,31,32)(H3,24,29,30)/b16-11+/t14-,17-/m1/s1

> <INCHI_KEY>
RMUSSDXMUOCMGR-HCIRMPLMSA-N

> <FORMULA>
C22H21BrN10O3

> <MOLECULAR_WEIGHT>
553.381

> <EXACT_MASS>
552.098148

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
52.73318103463308

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-bromo-N-{[(2S,3R)-6-[(4E)-8-hydroxy-1H,4H,5H,6H-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-2,3-dihydro-1H-imidazol-4-yl)-5-oxo-1H,2H,3H,5H,6H-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1H-pyrrole-2-carboxamide

> <JCHEM_LOGP>
-0.3776386770950317

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
14.190057174012992

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.8574164760078

> <JCHEM_PKA_STRONGEST_BASIC>
7.1632698383414155

> <JCHEM_POLAR_SURFACE_AREA>
185.88

> <JCHEM_REFRACTIVITY>
144.87419999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-bromo-N-{[(2S,3R)-6-[(4E)-8-hydroxy-1H,5H,6H-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1H,2H,3H-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1H-pyrrole-2-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  N   UNK     0      -6.368  -7.480   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -5.122  -6.575   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -5.122  -5.035   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -3.657  -4.559   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.752  -5.805   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.212  -5.805   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -0.307  -4.559   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       1.158  -5.035   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       2.623  -4.559   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       3.528  -5.805   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.068  -5.805   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.736  -4.418   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.237  -4.075   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       8.441  -5.035   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       8.441  -6.575   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.829  -7.243   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       7.237  -7.535   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       7.375  -9.069   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       5.959  -9.674   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.946  -8.515   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.736  -7.193   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.623  -7.051   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.099  -8.516   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0       1.158  -6.575   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      -0.307  -7.051   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.783  -8.516   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      -2.289  -8.836   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      -2.765 -10.301   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -1.734 -11.445   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -4.271 -10.621   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.897 -12.028   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -6.429 -11.867   0.000  0.00  0.00           C+0
HETATM   33 Br   UNK     0      -7.460 -13.011   0.000  0.00  0.00          Br+0
HETATM   34  C   UNK     0      -6.749 -10.360   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0      -5.416  -9.590   0.000  0.00  0.00           N+0
HETATM   36  N   UNK     0      -3.657  -7.051   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   36                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   36                                                  
CONECT    6    5    7   25                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   24                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   22                                                  
CONECT   11   10   12   21                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   17   11                                                  
CONECT   22   10   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22    8   25                                                  
CONECT   25   24    6   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   30                                                       
CONECT   36    5    2                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₁BrN₁₀O₃

Average Mass

553.3810 Da

Monoisotopic Mass

552.09815 Da

IUPAC Name

4-bromo-N-{[(2S,3R)-6-[(4E)-8-hydroxy-1H,4H,5H,6H-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-2,3-dihydro-1H-imidazol-4-yl)-5-oxo-1H,2H,3H,5H,6H-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1H-pyrrole-2-carboxamide

Traditional Name

4-bromo-N-{[(2S,3R)-6-[(4E)-8-hydroxy-1H,5H,6H-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1H,2H,3H-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1H-pyrrole-2-carboxamide

CAS Registry Number

Not Available

SMILES

OC1=NCC\C(C2=C1NC=C2)=C1/N=C2N[C@@H]([C@@H](CNC(=O)C3=CC(Br)=CN3)N2C1=O)C1=CNC(=N)N1

InChI Identifier

InChI=1S/C22H21BrN10O3/c23-9-5-12(27-6-9)18(34)28-8-14-17(13-7-29-21(24)30-13)32-22-31-16(20(36)33(14)22)11-2-4-26-19(35)15-10(11)1-3-25-15/h1,3,5-7,14,17,25,27H,2,4,8H2,(H,26,35)(H,28,34)(H,31,32)(H3,24,29,30)/b16-11+/t14-,17-/m1/s1

InChI Key

RMUSSDXMUOCMGR-HCIRMPLMSA-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
Axinella carteri	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrroloazepines. Pyrroloazepines are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrroloazepines

Sub Class

Not Available

Direct Parent

Pyrroloazepines

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Pyrroloazepine
2-heteroaryl carboxamide
Pyrrole-2-carboxamide
Pyrrole-2-carboxylic acid or derivatives
Azepine
Aryl bromide
Aryl halide
Imidazolinone
Substituted pyrrole
Azole
Imidazole
Imidazolidine
2-imidazoline
Heteroaromatic compound
Pyrrole
Cyclic carboximidic acid
Secondary carboxylic acid amide
Carboxamide group
Guanidine
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Organic 1,3-dipolar compound
Azacycle
Carboxylic acid derivative
Organic oxide
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organohalogen compound
Organic nitrogen compound
Carbonyl group
Organobromide
Organonitrogen 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	-0.38	ChemAxon
pKa (Strongest Acidic)	8.86	ChemAxon
pKa (Strongest Basic)	7.16	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	185.88 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	144.87 m³·mol⁻¹	ChemAxon
Polarizability	52.73 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	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

163191192

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide (NP0293348)

MOL for NP0293348 (4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide)

3D MOL for NP0293348 (4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide)

3D SDF for NP0293348 (4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide)

3D-SDF for NP0293348 (4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide)

PDB for NP0293348 (4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide)

3D PDB for NP0293348 (4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide)

SMILES for NP0293348 (4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide)

INCHI for NP0293348 (4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide)

Structure for NP0293348 (4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide)

3D Structure for NP0293348 (4-bromo-n-{[(2s,3r)-6-[(4e)-8-hydroxy-1h,5h,6h-pyrrolo[2,3-c]azepin-4-ylidene]-2-(2-imino-1,3-dihydroimidazol-4-yl)-5-oxo-1h,2h,3h-[1,3]diazolo[1,2-a]imidazol-3-yl]methyl}-1h-pyrrole-2-carboxamide)