NP-MRD: Showing NP-Card for 1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one (NP0159491)

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Record Information

Version

2.0

Created at

2022-09-02 17:14:48 UTC

Updated at

2022-09-02 17:14:48 UTC

NP-MRD ID

NP0159491

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one

Description

SCHEMBL16432028 belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. Based on a literature review very few articles have been published on SCHEMBL16432028.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 47  0  0  0  0  0  0  0  0999 V2000
    3.1440    0.4538    0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9135   -0.9437   -0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330   -1.1529   -1.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -1.2630   -0.2527 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8464   -0.3489   -1.1379 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2650    0.7251   -1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1255    1.2466   -2.4020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0631    1.5213    0.0369 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3869    2.9693   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8767    3.7569    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8786    2.7906   -0.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292    1.5583    0.1409 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2743    0.5540    0.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4983    0.7366    0.9784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7430   -0.7538    1.2322 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5522   -1.9035    0.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0117   -3.2368    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5737   -1.8669   -0.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4319   -1.0052    1.1492 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330   -1.2285    1.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369   -1.4879    2.1427 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7732    1.1811   -0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6802    0.6285    1.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2430    0.5949    0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2768   -1.6510    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781   -1.4103   -2.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2136   -0.2258   -1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4198   -1.9327   -1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3302   -2.2963   -0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4905    1.8381   -2.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4023    1.1961    0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505    3.1236   -1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    3.2511    0.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0876    3.8595    1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8795    4.7385   -0.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7279    2.7537   -1.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8784    3.1685   -0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0733   -0.7930    2.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6153   -1.8640    0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8164   -3.9988    1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414   -3.1197    2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3134   -3.5927    0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7895   -1.3044   -1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5533   -1.4538   -1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420   -2.9069   -1.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360   -0.9058    2.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 19  1  0
 19 20  2  3
 20 21  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 20  4  1  0
 12  8  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  6
  7 30  1  0
  8 31  1  1
  9 32  1  0
  9 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 15 38  1  1
 21 46  1  0
 16 39  1  0
 17 40  1  0
 17 41  1  0
 17 42  1  0
 18 43  1  0
 18 44  1  0
 18 45  1  0
M  END


  Mrv1652309022219142D          

 21 22  0  0  0  0            999 V2000
    4.1536    2.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7856    1.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5609    2.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424    1.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3568    0.6059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6390   -0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4640   -0.1693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3568   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9888   -1.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7641   -1.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8456   -2.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424   -1.3571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8299   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174   -1.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996   -0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150   -0.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0301   -0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150    0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996    0.2432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8299    0.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    1.5896    0.0000 O   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
  2  4  1  0  0  0  0
  5  4  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12  8  1  4  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0159491

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1N=C(O)C2CCCN2C(=O)C(N=C1O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H25N3O3/c1-8(2)11-14(20)17-12(9(3)4)15(21)18-7-5-6-10(18)13(19)16-11/h8-12H,5-7H2,1-4H3,(H,16,19)(H,17,20)

> <INCHI_KEY>
UCOHLBPVAYDLQD-UHFFFAOYSA-N

> <FORMULA>
C15H25N3O3

> <MOLECULAR_WEIGHT>
295.383

> <EXACT_MASS>
295.189591677

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
31.903136841964475

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,4-dihydroxy-3,6-bis(propan-2-yl)-3H,6H,7H,9H,10H,11H,11aH-pyrrolo[1,2-a][1,4,7]triazonin-7-one

> <ALOGPS_LOGP>
1.16

> <JCHEM_LOGP>
0.8183210100302134

> <ALOGPS_LOGS>
-2.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
5.488071032050074

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.991215413344694

> <JCHEM_PKA_STRONGEST_BASIC>
4.537216544653078

> <JCHEM_POLAR_SURFACE_AREA>
85.49000000000001

> <JCHEM_REFRACTIVITY>
78.6159

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.88e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,4-dihydroxy-3,6-diisopropyl-3H,6H,9H,10H,11H,11aH-pyrrolo[1,2-a][1,4,7]triazonin-7-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       7.753   4.408   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.933   3.418   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.380   3.944   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.666   1.901   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       9.999   1.131   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      10.526  -0.316   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      12.066  -0.316   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       9.999  -1.763   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.179  -2.753   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.626  -2.226   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.912  -4.270   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       8.666  -2.533   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       7.149  -2.266   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.379  -3.599   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.159  -1.086   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.695  -1.562   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.789  -0.316   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.695   0.930   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       6.159   0.454   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       7.149   1.634   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.379   2.967   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   20                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   12                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    8   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   15   20                                                  
CONECT   20   19    4   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₅N₃O₃

Average Mass

295.3830 Da

Monoisotopic Mass

295.18959 Da

IUPAC Name

1,4-dihydroxy-3,6-bis(propan-2-yl)-3H,6H,7H,9H,10H,11H,11aH-pyrrolo[1,2-a][1,4,7]triazonin-7-one

Traditional Name

1,4-dihydroxy-3,6-diisopropyl-3H,6H,9H,10H,11H,11aH-pyrrolo[1,2-a][1,4,7]triazonin-7-one

CAS Registry Number

Not Available

SMILES

CC(C)C1N=C(O)C2CCCN2C(=O)C(N=C1O)C(C)C

InChI Identifier

InChI=1S/C15H25N3O3/c1-8(2)11-14(20)17-12(9(3)4)15(21)18-7-5-6-10(18)13(19)16-11/h8-12H,5-7H2,1-4H3,(H,16,19)(H,17,20)

InChI Key

UCOHLBPVAYDLQD-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 cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Cyclic peptides

Alternative Parents

Substituents

Cyclic alpha peptide
Alpha-amino acid or derivatives
Pyrrolidine
Tertiary carboxylic acid amide
Carboxamide group
Lactam
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Organic oxide
Carbonyl group
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxygen compound
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	1.16	ALOGPS
logP	0.82	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	2.99	ChemAxon
pKa (Strongest Basic)	4.54	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	85.49 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	78.62 m³·mol⁻¹	ChemAxon
Polarizability	31.9 Å³	ChemAxon
Number of Rings	2	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

21375906

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

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PubChem Compound

117846886

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one (NP0159491)

MOL for NP0159491 (1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one)

3D MOL for NP0159491 (1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one)

3D SDF for NP0159491 (1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one)

3D-SDF for NP0159491 (1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one)

PDB for NP0159491 (1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one)

3D PDB for NP0159491 (1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one)

SMILES for NP0159491 (1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one)

INCHI for NP0159491 (1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one)

Structure for NP0159491 (1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one)

3D Structure for NP0159491 (1,4-dihydroxy-3,6-diisopropyl-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one)