NP-MRD: Showing NP-Card for 5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid (NP0279554)

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Record Information

Version

2.0

Created at

2022-09-09 04:58:51 UTC

Updated at

2022-09-09 04:58:51 UTC

NP-MRD ID

NP0279554

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid

Description

5-Hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-5-methyl-6-(propan-2-yl)oxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2H-1,4-thiazine-3-carboxylic acid belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Based on a literature review very few articles have been published on 5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-5-methyl-6-(propan-2-yl)oxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2H-1,4-thiazine-3-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092206582D          

 57 59  0  0  0  0            999 V2000
   -2.0391   -1.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2267   -1.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964   -0.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088   -0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7910    0.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607    0.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482    0.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661    0.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0821    1.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001    2.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8945    1.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1767    0.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4248    1.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7676    2.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  4  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  4  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  4  0  0  0
 18 19  2  0  0  0  0
 19 20  1  4  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
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 55 56  1  0  0  0  0
  3 56  1  0  0  0  0
 56 57  2  0  0  0  0
M  END

     RDKit          3D

122124  0  0  0  0  0  0  0  0999 V2000
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M  END


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M  END
> <DATABASE_ID>
NP0279554

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C=CC=C(C)CC(C)C(O)C(C)C=C(C)C=C(OC)C(=O)OC1C(C)C(O)C(C)C1(O)CC(OC(=O)CC2SCC(N=C2O)C(O)=O)C(C)C(O1)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C42H65NO13S/c1-21(2)37-26(7)32(54-34(44)18-33-39(47)43-29(20-57-33)40(48)49)19-42(51,56-37)28(9)36(46)27(8)38-30(52-10)14-12-13-22(3)15-24(5)35(45)25(6)16-23(4)17-31(53-11)41(50)55-38/h12-14,16-17,21,24-30,32-33,35-38,45-46,51H,15,18-20H2,1-11H3,(H,43,47)(H,48,49)

> <INCHI_KEY>
QUPRHGPFIADXHP-UHFFFAOYSA-N

> <FORMULA>
C42H65NO13S

> <MOLECULAR_WEIGHT>
824.04

> <EXACT_MASS>
823.417662331

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
122

> <JCHEM_AVERAGE_POLARIZABILITY>
88.23948741925767

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-5-methyl-6-(propan-2-yl)oxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2H-1,4-thiazine-3-carboxylic acid

> <JCHEM_LOGP>
5.558242104333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.327960561703431

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2521254966369937

> <JCHEM_PKA_STRONGEST_BASIC>
0.2487915596502538

> <JCHEM_POLAR_SURFACE_AREA>
210.86999999999998

> <JCHEM_REFRACTIVITY>
217.9939000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2H-1,4-thiazine-3-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.806  -1.961   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.290  -2.228   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.300  -1.049   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.816  -0.781   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.343   0.666   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.860   0.933   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.353   1.846   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.837   1.578   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.310   0.131   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.153   2.758   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.374   4.205   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.670   2.491   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.197   1.043   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.660   3.670   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.176   3.403   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.166   4.583   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.703   1.956   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.713   0.776   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.240  -0.671   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.250  -1.851   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.777  -3.298   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.293  -3.565   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.733  -1.583   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.260  -3.031   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.330  -4.138   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.270  -4.210   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -0.246  -3.943   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.797  -5.657   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.313  -5.925   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.807  -6.837   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -0.183  -5.657   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       2.141  -7.607   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.141  -9.147   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       3.474  -9.917   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       3.474 -11.457   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.141 -12.227   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       4.808 -12.227   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.808 -13.767   0.000  0.00  0.00           C+0
HETATM   39  S   UNK     0       6.142 -14.537   0.000  0.00  0.00           S+0
HETATM   40  C   UNK     0       6.142 -16.077   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.808 -16.847   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.808 -18.387   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       6.142 -19.157   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       3.474 -19.157   0.000  0.00  0.00           O+0
HETATM   45  N   UNK     0       3.474 -16.077   0.000  0.00  0.00           N+0
HETATM   46  C   UNK     0       3.474 -14.537   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       2.141 -13.767   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       0.807  -9.917   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       0.807 -11.457   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -0.527  -9.147   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -1.860  -9.917   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -3.194  -9.147   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -1.860 -11.457   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      -0.527  -7.607   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0       0.743  -2.763   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      -0.773  -2.496   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      -1.763  -3.675   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   56                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24   55                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32   54                                             
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34   48                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   46                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   45                                                  
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
CONECT   45   41   46                                                       
CONECT   46   45   38   47                                                  
CONECT   47   46                                                            
CONECT   48   33   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51   54                                                  
CONECT   51   50   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51                                                            
CONECT   54   50   30                                                       
CONECT   55   23   56                                                       
CONECT   56   55    3   57                                                  
CONECT   57   56                                                            
MASTER        0    0    0    0    0    0    0    0   57    0  118    0
END

View in JSmol

Synonyms

Value	Source
5-Hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-5-methyl-6-(propan-2-yl)oxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2H-1,4-thiazine-3-carboxylate	Generator

Chemical Formula

C₄₂H₆₅NO₁₃S

Average Mass

824.0400 Da

Monoisotopic Mass

823.41766 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1C=CC=C(C)CC(C)C(O)C(C)C=C(C)C=C(OC)C(=O)OC1C(C)C(O)C(C)C1(O)CC(OC(=O)CC2SCC(N=C2O)C(O)=O)C(C)C(O1)C(C)C

InChI Identifier

InChI=1S/C42H65NO13S/c1-21(2)37-26(7)32(54-34(44)18-33-39(47)43-29(20-57-33)40(48)49)19-42(51,56-37)28(9)36(46)27(8)38-30(52-10)14-12-13-22(3)15-24(5)35(45)25(6)16-23(4)17-31(53-11)41(50)55-38/h12-14,16-17,21,24-30,32-33,35-38,45-46,51H,15,18-20H2,1-11H3,(H,43,47)(H,48,49)

InChI Key

QUPRHGPFIADXHP-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 macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Alpha-amino acid or derivatives
Tricarboxylic acid or derivatives
Thiomorpholine-3-carboxylic acid
Oxane
1,4-thiazinane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxamide group
Carboxylic acid ester
Hemiacetal
Lactam
Lactone
Secondary alcohol
Secondary carboxylic acid amide
Carboxylic acid derivative
Carboxylic acid
Dialkyl ether
Ether
Oxacycle
Azacycle
Organoheterocyclic compound
Dialkylthioether
Thioether
Carbonyl group
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Organic nitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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

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

75113351

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid (NP0279554)

MOL for NP0279554 (5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid)

3D MOL for NP0279554 (5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid)

3D SDF for NP0279554 (5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid)

3D-SDF for NP0279554 (5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid)

PDB for NP0279554 (5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid)

3D PDB for NP0279554 (5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid)

SMILES for NP0279554 (5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid)

INCHI for NP0279554 (5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid)

Structure for NP0279554 (5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid)

3D Structure for NP0279554 (5-hydroxy-6-[2-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-2-oxoethyl]-3,6-dihydro-2h-1,4-thiazine-3-carboxylic acid)