NP-MRD: Showing NP-Card for 19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate (NP0255776)

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Record Information

Version

2.0

Created at

2022-09-07 20:23:10 UTC

Updated at

2022-09-07 20:23:10 UTC

NP-MRD ID

NP0255776

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate

Description

19-(Acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]Tetracosa-9,20-dien-8-yl hexanoate belongs to the class of organic compounds known as epipolythiodioxopiperazines. Epipolythiodioxopiperazines are compounds containing an epipolythiodioxopiperazine moiety, which consists of a 2,3-dithia-5,7-diazabicyclo[2.2.2]Octane-6,8-dione ring system. One distinct characteristics of Epipolythiodioxopiperazines is the presence of unique di- or polysulfide bridges. 19-(Acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]Tetracosa-9,20-dien-8-yl hexanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251513552D          

 38 45  0  0  0  0            999 V2000
   14.3730    1.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6464    1.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9448    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2181    1.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5165    1.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7898    1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7648    2.3095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0882    1.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3615    1.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6599    1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9333    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1223    1.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5559    1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9755    2.3437    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8779    3.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1092    3.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904    4.3110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816    5.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7989    3.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2795    4.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1106    2.5492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9083    2.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3365    2.2662    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  9 10  1  0  0  0  0
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 37 38  1  0  0  0  0
  9 38  1  0  0  0  0
 36 38  1  0  0  0  0
M  END

     RDKit          3D

 66 73  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1533004251513552D          

 38 45  0  0  0  0            999 V2000
   14.3730    1.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6464    1.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5165    1.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7898    1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 18 28  1  0  0  0  0
 28 29  1  0  0  0  0
 16 29  1  0  0  0  0
 29 30  1  0  0  0  0
 13 30  1  0  0  0  0
 30 31  2  0  0  0  0
 16 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 13 34  1  0  0  0  0
 34 35  1  0  0  0  0
 11 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
  9 38  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0255776

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC(=O)OC1C=C2CC34SSC5(CC6=CC(OC(C)=O)C7OC7C6N5C3=O)C(=O)N4C2C2OC12

> <INCHI_IDENTIFIER>
InChI=1S/C26H28N2O8S2/c1-3-4-5-6-16(30)34-15-8-13-10-26-24(32)27-17-12(7-14(33-11(2)29)19-21(17)35-19)9-25(27,37-38-26)23(31)28(26)18(13)22-20(15)36-22/h7-8,14-15,17-22H,3-6,9-10H2,1-2H3

> <INCHI_KEY>
RKEDAZXFFYMOPX-UHFFFAOYSA-N

> <FORMULA>
C26H28N2O8S2

> <MOLECULAR_WEIGHT>
560.64

> <EXACT_MASS>
560.128708218

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
57.081557623867695

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate

> <ALOGPS_LOGP>
1.84

> <JCHEM_LOGP>
2.189232576666667

> <ALOGPS_LOGS>
-3.39

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9356132245855027

> <JCHEM_POLAR_SURFACE_AREA>
118.27999999999999

> <JCHEM_REFRACTIVITY>
135.28249999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.28e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      26.830   2.204   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      25.473   2.933   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      24.164   2.123   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      22.807   2.853   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      21.497   2.042   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      20.141   2.772   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      20.094   4.311   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      18.831   1.962   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      17.475   2.691   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.165   1.881   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.809   2.610   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.295   2.196   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.238   3.399   0.000  0.00  0.00           C+0
HETATM   14  S   UNK     0      11.154   4.375   0.000  0.00  0.00           S+0
HETATM   15  S   UNK     0      12.067   5.446   0.000  0.00  0.00           S+0
HETATM   16  C   UNK     0      10.972   6.420   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.996   7.674   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.471   7.320   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.129   8.076   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.804   7.291   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.462   8.047   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.446   9.587   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.104  10.343   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.771  10.371   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.820   5.752   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       5.837   4.212   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.162   4.996   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.487   5.780   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0       9.934   5.072   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      10.504   3.446   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       9.597   2.201   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      12.691   6.395   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      13.588   7.647   0.000  0.00  0.00           O+0
HETATM   34  N   UNK     0      13.273   4.759   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0      14.762   4.149   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      16.072   4.959   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      17.382   5.769   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      17.428   4.230   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                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   38                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   35                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   30   34                                             
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   29   32                                             
CONECT   17   16   18                                                       
CONECT   18   17   19   28                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   20   26   27                                                  
CONECT   26   25   27                                                       
CONECT   27   26   25   28                                                  
CONECT   28   27   18   29                                                  
CONECT   29   28   16   30                                                  
CONECT   30   29   13   31                                                  
CONECT   31   30                                                            
CONECT   32   16   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   13   35                                                  
CONECT   35   34   11   36                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36   38                                                       
CONECT   38   37    9   36                                                  
MASTER        0    0    0    0    0    0    0    0   38    0   90    0
END

View in JSmol

Synonyms

Value	Source
19-(Acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0,.0,.0,.0,.0,.0,]tetracosa-9,20-dien-8-yl hexanoic acid	Generator
19-(Acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoic acid	Generator

Chemical Formula

C₂₆H₂₈N₂O₈S₂

Average Mass

560.6400 Da

Monoisotopic Mass

560.12871 Da

IUPAC Name

19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate

Traditional Name

19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate

CAS Registry Number

Not Available

SMILES

CCCCCC(=O)OC1C=C2CC34SSC5(CC6=CC(OC(C)=O)C7OC7C6N5C3=O)C(=O)N4C2C2OC12

InChI Identifier

InChI=1S/C26H28N2O8S2/c1-3-4-5-6-16(30)34-15-8-13-10-26-24(32)27-17-12(7-14(33-11(2)29)19-21(17)35-19)9-25(27,37-38-26)23(31)28(26)18(13)22-20(15)36-22/h7-8,14-15,17-22H,3-6,9-10H2,1-2H3

InChI Key

RKEDAZXFFYMOPX-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 epipolythiodioxopiperazines. Epipolythiodioxopiperazines are compounds containing an epipolythiodioxopiperazine moiety, which consists of a 2,3-dithia-5,7-diazabicyclo[2.2.2]Octane-6,8-dione ring system. One distinct characteristics of Epipolythiodioxopiperazines is the presence of unique di- or polysulfide bridges.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazinanes

Sub Class

Piperazines

Direct Parent

Epipolythiodioxopiperazines

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Epipolythiodioxopiperazine
Indole or derivatives
Fatty acid ester
N-alkylpiperazine
Dicarboxylic acid or derivatives
Dithiazinane
Fatty acyl
Pyrrolidine
Tertiary carboxylic acid amide
Carboxamide group
Carboxylic acid ester
Lactam
Organic disulfide
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Azacycle
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
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	1.84	ALOGPS
logP	2.19	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	118.28 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	135.28 m³·mol⁻¹	ChemAxon
Polarizability	57.08 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

74433124

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate (NP0255776)

MOL for NP0255776 (19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate)

3D MOL for NP0255776 (19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate)

3D SDF for NP0255776 (19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate)

3D-SDF for NP0255776 (19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate)

PDB for NP0255776 (19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate)

3D PDB for NP0255776 (19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate)

SMILES for NP0255776 (19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate)

INCHI for NP0255776 (19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate)

Structure for NP0255776 (19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate)

3D Structure for NP0255776 (19-(acetyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate)