NP-MRD: Showing NP-Card for 23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione (NP0211810)

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Record Information

Version

2.0

Created at

2022-09-05 10:14:31 UTC

Updated at

2022-09-05 10:14:31 UTC

NP-MRD ID

NP0211810

Secondary Accession Numbers

None

Natural Product Identification

Common Name

23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione

Description

23,33-Dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]Tritriaconta-4,7,12(32),13,15,18,20,22(31)-octaene-11,28,30-trione belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. Based on a literature review very few articles have been published on 23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]Tritriaconta-4,7,12(32),13,15,18,20,22(31)-octaene-11,28,30-trione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052212142D          

 43 49  0  0  0  0            999 V2000
   11.9628   -0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1379   -0.4321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7139    0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1274    0.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000    1.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564    1.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4696    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8757    0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4191   -0.4666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7480   -0.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2344   -2.3420    0.0000 O   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


  Mrv1652309052212142D          

 43 49  0  0  0  0            999 V2000
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    6.0006    3.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618    3.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7450    4.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5428    4.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8556    3.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4894    2.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3656    2.3676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2289    2.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5536    3.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6026    2.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    1.8663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    1.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    1.0662    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  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
  6 38  1  0  0  0  0
 38 39  2  0  0  0  0
 36 40  1  0  0  0  0
 31 40  1  0  0  0  0
 40 41  1  0  0  0  0
 24 41  1  0  0  0  0
 41 42  1  0  0  0  0
 20 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0211810

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C=C1OC1=CC(=CC=C1OC)C(=O)OC1C=COC=C3C(O)C45SSSC(C2O)(N(C)C4=O)C(=O)N5C13

> <INCHI_IDENTIFIER>
InChI=1S/C28H24N2O10S3/c1-29-25(34)28-23(32)15-12-38-9-8-18-21(15)30(28)26(35)27(29,41-43-42-28)22(31)13-4-6-16(36-2)19(10-13)39-20-11-14(24(33)40-18)5-7-17(20)37-3/h4-12,18,21-23,31-32H,1-3H3

> <INCHI_KEY>
MEOWQXLCYBXMOB-UHFFFAOYSA-N

> <FORMULA>
C28H24N2O10S3

> <MOLECULAR_WEIGHT>
644.68

> <EXACT_MASS>
644.059308503

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
60.124289007473436

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1^{1,4}.1^{2,24}.1^{12,16}.1^{18,22}.0^{3,9}]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione

> <JCHEM_LOGP>
2.676752797333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.28983705435678

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.686842584439088

> <JCHEM_PKA_STRONGEST_BASIC>
-3.670789637943975

> <JCHEM_POLAR_SURFACE_AREA>
144.3

> <JCHEM_REFRACTIVITY>
155.857

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1^{1,4}.1^{2,24}.1^{12,16}.1^{18,22}.0^{3,9}]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      22.331  -0.782   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      20.791  -0.807   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      19.999   0.514   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      20.771   1.862   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      19.973   3.200   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      18.399   3.232   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      17.677   1.841   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      18.435   0.469   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      17.582  -0.871   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      16.330  -1.847   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      15.072  -0.890   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.533  -1.287   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.416  -2.901   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.604  -3.932   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      16.054  -3.387   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      17.238  -4.372   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      16.976  -5.889   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.346   0.032   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      13.421   1.135   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.929   1.241   0.000  0.00  0.00           C+0
HETATM   21  S   UNK     0      10.048   0.030   0.000  0.00  0.00           S+0
HETATM   22  S   UNK     0       8.530   0.303   0.000  0.00  0.00           S+0
HETATM   23  S   UNK     0       8.026   1.998   0.000  0.00  0.00           S+0
HETATM   24  C   UNK     0       9.459   3.638   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.274   3.127   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.734   3.085   0.000  0.00  0.00           O+0
HETATM   27  N   UNK     0       9.606   2.635   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      10.453   3.921   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.692   5.145   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       8.526   6.151   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      11.201   5.611   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.315   7.107   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      12.591   7.960   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      14.080   7.535   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.664   6.110   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.980   4.715   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      15.616   4.419   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      17.227   4.326   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      17.833   5.742   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      12.325   4.536   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0      11.261   3.484   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      11.978   2.222   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      13.500   1.990   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   38                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   12   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   27   42                                             
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   29   41                                             
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   20   28                                                  
CONECT   28   27                                                            
CONECT   29   24   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   40                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   40                                                  
CONECT   37   36   38                                                       
CONECT   38   37    6   39                                                  
CONECT   39   38                                                            
CONECT   40   36   31   41                                                  
CONECT   41   40   24   42                                                  
CONECT   42   41   20   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₂₄N₂O₁₀S₃

Average Mass

644.6800 Da

Monoisotopic Mass

644.05931 Da

IUPAC Name

23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1^{1,4}.1^{2,24}.1^{12,16}.1^{18,22}.0^{3,9}]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C=C1OC1=CC(=CC=C1OC)C(=O)OC1C=COC=C3C(O)C45SSSC(C2O)(N(C)C4=O)C(=O)N5C13

InChI Identifier

InChI=1S/C28H24N2O10S3/c1-29-25(34)28-23(32)15-12-38-9-8-18-21(15)30(28)26(35)27(29,41-43-42-28)22(31)13-4-6-16(36-2)19(10-13)39-20-11-14(24(33)40-18)5-7-17(20)37-3/h4-12,18,21-23,31-32H,1-3H3

InChI Key

MEOWQXLCYBXMOB-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 macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Macrolactam
Diaryl ether
Alpha-amino acid or derivatives
Thiodioxopiperazine
Anisole
Dioxopiperazine
Phenol ether
2,5-dioxopiperazine
Alkyl aryl ether
N-alkylpiperazine
N-methylpiperazine
1,4-diazinane
Piperazine
Benzenoid
Pyrrolidine
Tertiary carboxylic acid amide
Organic trisulfide
Secondary alcohol
Carboxamide group
Carboxylic acid ester
Lactam
Lactone
Organoheterocyclic compound
Carboxylic acid derivative
Oxacycle
Ether
Azacycle
Organonitrogen compound
Organic nitrogen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organic oxide
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	2.68	ChemAxon
pKa (Strongest Acidic)	12.69	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	144.3 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	155.86 m³·mol⁻¹	ChemAxon
Polarizability	60.12 Å³	ChemAxon
Number of Rings	7	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

8365175

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10189674

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione (NP0211810)

MOL for NP0211810 (23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione)

3D MOL for NP0211810 (23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione)

3D SDF for NP0211810 (23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione)

3D-SDF for NP0211810 (23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione)

PDB for NP0211810 (23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione)

3D PDB for NP0211810 (23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione)

SMILES for NP0211810 (23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione)

INCHI for NP0211810 (23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione)

Structure for NP0211810 (23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione)

3D Structure for NP0211810 (23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione)