NP-MRD: Showing NP-Card for 4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol (NP0223735)

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Record Information

Version

2.0

Created at

2022-09-06 01:54:59 UTC

Updated at

2022-09-06 01:54:59 UTC

NP-MRD ID

NP0223735

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol

Description

ACMC-20mubk belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. 4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol is found in Westiellopsis prolifica. ACMC-20mubk is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171523052D          

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    8.2539   -2.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533004171523052D          

 39 42  0  0  0  0            999 V2000
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    4.6850   -2.7344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918   -3.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9807   -3.9777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4096   -3.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1207   -3.5476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8385   -3.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4959   -4.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710   -4.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1915   -5.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2561   -2.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2629   -3.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383   -2.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7979    0.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0801    1.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5090    1.4139    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  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  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
  4 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 14 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0223735

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1NC(=O)C2N=C(OC2C)C(NC(=O)C2N=C(OC2C)C(NC(=O)C2N=C1OC2C)C(C)C)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C27H42N6O6/c1-10(2)16-25-31-20(13(7)37-25)23(35)29-18(12(5)6)27-33-21(15(9)39-27)24(36)30-17(11(3)4)26-32-19(14(8)38-26)22(34)28-16/h10-21H,1-9H3,(H,28,34)(H,29,35)(H,30,36)

> <INCHI_KEY>
MIDTUAMKJJDHAR-UHFFFAOYSA-N

> <FORMULA>
C27H42N6O6

> <MOLECULAR_WEIGHT>
546.669

> <EXACT_MASS>
546.316583096

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
57.32587866077526

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7,14,21-trimethyl-4,11,18-tris(propan-2-yl)-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione

> <ALOGPS_LOGP>
1.83

> <JCHEM_LOGP>
1.9053926089999997

> <ALOGPS_LOGS>
-3.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.088433491396739

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.664011807076326

> <JCHEM_PKA_STRONGEST_BASIC>
0.293760860822471

> <JCHEM_POLAR_SURFACE_AREA>
152.06999999999996

> <JCHEM_REFRACTIVITY>
139.69350000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.81e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      16.760  -6.578   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      15.432  -7.359   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.445  -8.899   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.093  -6.600   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      14.080  -5.060   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      15.407  -4.279   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      16.747  -5.039   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      15.395  -2.740   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      14.055  -1.981   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      14.042  -0.441   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      15.635  -0.259   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      16.416  -1.587   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.948  -1.735   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.702   0.318   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      11.375  -0.462   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      10.035   0.297   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      10.022   1.837   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.707  -0.484   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       8.720  -2.024   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       7.393  -2.805   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.439  -1.516   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       7.199  -0.176   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.561   1.225   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.405  -4.345   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       8.745  -5.104   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       8.758  -6.644   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       7.431  -7.425   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      10.098  -7.403   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      11.425  -6.622   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      12.765  -7.381   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      12.126  -8.851   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      10.586  -8.864   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.691 -10.117   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.078  -5.126   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.091  -6.666   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.738  -4.367   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      12.689   1.858   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      11.349   2.617   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.017   2.639   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   30                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11    8   13                                                  
CONECT   13   12                                                            
CONECT   14   10   15   37                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   22                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   24                                                  
CONECT   21   20   22                                                       
CONECT   22   21   18   23                                                  
CONECT   23   22                                                            
CONECT   24   20   25   34                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   32                                                  
CONECT   29   28   30                                                       
CONECT   30   29    4   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   28   33                                                  
CONECT   33   32                                                            
CONECT   34   24   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   14   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₂N₆O₆

Average Mass

546.6690 Da

Monoisotopic Mass

546.31658 Da

IUPAC Name

7,14,21-trimethyl-4,11,18-tris(propan-2-yl)-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione

Traditional Name

4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione

CAS Registry Number

Not Available

SMILES

CC(C)C1NC(=O)C2N=C(OC2C)C(NC(=O)C2N=C(OC2C)C(NC(=O)C2N=C1OC2C)C(C)C)C(C)C

InChI Identifier

InChI=1S/C27H42N6O6/c1-10(2)16-25-31-20(13(7)37-25)23(35)29-18(12(5)6)27-33-21(15(9)39-27)24(36)30-17(11(3)4)26-32-19(14(8)38-26)22(34)28-16/h10-21H,1-9H3,(H,28,34)(H,29,35)(H,30,36)

InChI Key

MIDTUAMKJJDHAR-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

Species Name	Source	Reference
Westiellopsis prolifica	LOTUS Database	35616633

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
Macrolactam
Alpha-amino acid or derivatives
Oxazoline
Carboxamide group
Imido ester
Lactam
Secondary carboxylic acid amide
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organoheterocyclic compound
Azacycle
Oxacycle
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Carbonyl group
Organic nitrogen compound
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

a cyclamide (CPD-10405 )

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	1.83	ALOGPS
logP	1.91	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	10.66	ChemAxon
pKa (Strongest Basic)	0.29	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	152.07 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	139.69 m³·mol⁻¹	ChemAxon
Polarizability	57.33 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	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

20296834

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol (NP0223735)

MOL for NP0223735 (4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol)

3D MOL for NP0223735 (4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol)

3D SDF for NP0223735 (4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol)

3D-SDF for NP0223735 (4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol)

PDB for NP0223735 (4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol)

3D PDB for NP0223735 (4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol)

SMILES for NP0223735 (4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol)

INCHI for NP0223735 (4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol)

Structure for NP0223735 (4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol)

3D Structure for NP0223735 (4,11,18-triisopropyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol)