NP-MRD: Showing NP-Card for (1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione (NP0244038)

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Record Information

Version

2.0

Created at

2022-09-07 04:43:48 UTC

Updated at

2022-09-07 04:43:48 UTC

NP-MRD ID

NP0244038

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione

Description

Neofipiperzine C belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. Based on a literature review very few articles have been published on Neofipiperzine C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072206432D          

 36 40  0  0  1  0            999 V2000
    7.1893    0.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8086    1.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9844    1.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6038    2.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796    2.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3360    1.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5223    1.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4001    0.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1383    0.2391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2741   -0.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0468   -0.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827   -1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5459   -2.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9553   -1.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    0.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5409    0.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5101   -0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6418   -1.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8011   -1.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0422    2.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4637    2.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1091    1.6351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2314    2.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768    1.9371    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3 16  1  0  0  0  0
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  7 35  1  0  0  0  0
 35 36  1  1  0  0  0
M  END

     RDKit          3D

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309072206432D          

 36 40  0  0  1  0            999 V2000
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 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 23 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
  7 35  1  0  0  0  0
 35 36  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0244038

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C(=C1)N(CC=C(C)C)C1=C2[C@H](O)[C@]2(O)N([C@H]1CC(C)(C)O)C(=O)[C@@H]1CCCN1C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H35N3O6/c1-15(2)10-12-28-19-13-16(36-5)8-9-17(19)21-22(28)20(14-26(3,4)34)30-24(32)18-7-6-11-29(18)25(33)27(30,35)23(21)31/h8-10,13,18,20,23,31,34-35H,6-7,11-12,14H2,1-5H3/t18-,20-,23-,27+/m0/s1

> <INCHI_KEY>
PHYQSJPYTFUFQL-LRAXRWESSA-N

> <FORMULA>
C27H35N3O6

> <MOLECULAR_WEIGHT>
497.592

> <EXACT_MASS>
497.252585859

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
54.29463167362526

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,12S,15S)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0^{3,11}.0^{4,9}.0^{15,19}]icosa-3(11),4(9),5,7-tetraene-14,20-dione

> <JCHEM_LOGP>
1.4471568430000006

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.533898788328564

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.136844465422453

> <JCHEM_PKA_STRONGEST_BASIC>
-2.654172878413437

> <JCHEM_POLAR_SURFACE_AREA>
115.47000000000001

> <JCHEM_REFRACTIVITY>
134.43110000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,12S,15S)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0^{3,11}.0^{4,9}.0^{15,19}]icosa-3(11),4(9),5,7-tetraene-14,20-dione

> <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      13.420   1.341   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      12.709   2.707   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      11.171   2.775   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.460   4.141   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.922   4.209   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.094   2.911   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.575   2.657   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.347   1.134   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       7.725   0.446   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       7.978  -1.073   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.421  -1.613   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.674  -3.131   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.486  -4.111   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.117  -3.671   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.805   1.544   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.343   1.477   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.914   0.570   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.686  -0.953   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.890  -1.912   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.931  -3.117   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.850  -0.707   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.095  -2.871   0.000  0.00  0.00           O+0
HETATM   23  N   UNK     0       3.709   1.529   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       2.276   0.965   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.048  -0.558   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.071   1.924   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.448   1.671   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.159   3.037   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.079   4.135   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       1.299   3.447   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       2.732   4.011   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.960   5.534   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       3.937   3.052   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       4.165   4.575   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       5.370   3.616   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.598   5.139   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   16                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   15                                                  
CONECT    7    6    8   35                                                  
CONECT    8    7    9   17                                                  
CONECT    9    8   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    9    6   16                                                  
CONECT   16   15    3                                                       
CONECT   17    8   18   23                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   19                                                            
CONECT   23   17   24   33                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   30                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   26   31                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   23   34   35                                             
CONECT   34   33                                                            
CONECT   35   33    7   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₅N₃O₆

Average Mass

497.5920 Da

Monoisotopic Mass

497.25259 Da

IUPAC Name

(1R,2S,12S,15S)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0^{3,11}.0^{4,9}.0^{15,19}]icosa-3(11),4(9),5,7-tetraene-14,20-dione

Traditional Name

(1R,2S,12S,15S)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0^{3,11}.0^{4,9}.0^{15,19}]icosa-3(11),4(9),5,7-tetraene-14,20-dione

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C(=C1)N(CC=C(C)C)C1=C2[C@H](O)[C@]2(O)N([C@H]1CC(C)(C)O)C(=O)[C@@H]1CCCN1C2=O

InChI Identifier

InChI=1S/C27H35N3O6/c1-15(2)10-12-28-19-13-16(36-5)8-9-17(19)21-22(28)20(14-26(3,4)34)30-24(32)18-7-6-11-29(18)25(33)27(30,35)23(21)31/h8-10,13,18,20,23,31,34-35H,6-7,11-12,14H2,1-5H3/t18-,20-,23-,27+/m0/s1

InChI Key

PHYQSJPYTFUFQL-LRAXRWESSA-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 beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyridoindoles

Direct Parent

Beta carbolines

Alternative Parents

Substituents

Beta-carboline
N-alkylindole
3-alkylindole
Alpha-amino acid or derivatives
Indole
2,5-dioxopiperazine
Dioxopiperazine
Anisole
N-alkylpiperazine
Alkyl aryl ether
Benzenoid
Substituted pyrrole
Piperazine
1,4-diazinane
Heteroaromatic compound
Tertiary carboxylic acid amide
Tertiary alcohol
Pyrrolidine
Pyrrole
Secondary alcohol
Lactam
Carboxamide group
Azacycle
Ether
Carboxylic acid derivative
Alkanolamine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
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	1.45	ChemAxon
pKa (Strongest Acidic)	10.14	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	115.47 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	134.43 m³·mol⁻¹	ChemAxon
Polarizability	54.29 Å³	ChemAxon
Number of Rings	5	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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78440819

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139583978

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione (NP0244038)

MOL for NP0244038 ((1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

3D MOL for NP0244038 ((1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

3D SDF for NP0244038 ((1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

3D-SDF for NP0244038 ((1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

PDB for NP0244038 ((1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

3D PDB for NP0244038 ((1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

SMILES for NP0244038 ((1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

INCHI for NP0244038 ((1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

Structure for NP0244038 ((1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

3D Structure for NP0244038 ((1r,2s,12s,15s)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)