NP-MRD: Showing NP-Card for (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate (NP0296591)

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Record Information

Version

2.0

Created at

2022-09-10 06:15:37 UTC

Updated at

2022-09-10 06:15:37 UTC

NP-MRD ID

NP0296591

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102208152D          

 44 47  0  0  1  0            999 V2000
   -0.4645   -2.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3593   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8876   -0.3152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 43 44  1  1  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309102208152D          

 44 47  0  0  1  0            999 V2000
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    5.0433    1.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5628    0.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2774    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8030   -0.5429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5150   -1.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4565   -0.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1744   -0.8151    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2916    2.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4416    3.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2644    3.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1740    3.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4903    4.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6612    4.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8654    4.0771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5825    4.8520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1122    5.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0761    3.7605    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2041    4.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5622    5.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8937    2.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    2.6509    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4856    3.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373    4.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0151    4.5768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286    4.2981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615    1.8752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4898    1.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3130    1.1644    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3785    0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570    0.3406    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1620   -0.3007    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  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  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
 16 19  2  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 30 38  1  0  0  0  0
 34 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 41 42  1  1  0  0  0
 42 43  1  0  0  0  0
  6 43  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0296591

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)O[C@H]1CC(=O)N(C)C2=CC(C\C(C)=C/C=C\[C@@H](OC)[C@]3(C[C@H](OC(O)=N3)[C@@H](C)[C@@H]3O[C@@]13C)OC)=CC(OC)=C2Cl

> <INCHI_IDENTIFIER>
InChI=1S/C32H43ClN2O9/c1-9-27(37)43-25-16-26(36)35(5)21-14-20(15-22(39-6)28(21)33)13-18(2)11-10-12-24(40-7)32(41-8)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h10-12,14-15,19,23-25,29H,9,13,16-17H2,1-8H3,(H,34,38)/b12-10-,18-11-/t19-,23+,24?,25+,29+,31+,32+/m1/s1

> <INCHI_KEY>
SPMKSUQFIONEER-LQJVEZGESA-N

> <FORMULA>
C32H43ClN2O9

> <MOLECULAR_WEIGHT>
635.15

> <EXACT_MASS>
634.2657087

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
65.04098198881945

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl propanoate

> <JCHEM_LOGP>
5.469308651999998

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.119108319142917

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.781882641766614

> <JCHEM_PKA_STRONGEST_BASIC>
-3.144454074801828

> <JCHEM_POLAR_SURFACE_AREA>
128.65

> <JCHEM_REFRACTIVITY>
164.128

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.867  -4.458   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.671  -4.542   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.512  -3.252   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.050  -3.336   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       0.816  -1.878   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.657  -0.588   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.157  -0.996   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.611  -0.441   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.387  -1.771   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       5.815   0.556   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       5.043   1.888   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.295   1.110   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.868   2.567   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.414   2.876   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.384   1.634   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.851   0.174   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      10.832  -1.013   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      10.295  -2.457   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.319  -0.074   0.000  0.00  0.00           C+0
HETATM   20 Cl   UNK     0       7.792  -1.521   0.000  0.00  0.00          Cl+0
HETATM   21  C   UNK     0       9.878   4.391   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.158   5.932   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.694   6.044   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.658   7.414   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.382   8.313   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.834   8.101   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.349   7.611   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.821   9.057   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.809  10.238   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.875   7.020   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.114   8.541   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       2.916   9.508   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.535   5.490   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.060   4.948   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       0.907   6.006   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.190   7.532   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       0.028   8.543   0.000  0.00  0.00           O+0
HETATM   38  N   UNK     0       2.667   8.023   0.000  0.00  0.00           N+0
HETATM   39  C   UNK     0       1.422   3.500   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.781   2.777   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.584   2.174   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -0.706   1.334   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       0.666   0.636   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -0.302  -0.561   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   43                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   12   20                                                  
CONECT   20   19                                                            
CONECT   21   14   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31   33   38                                             
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34                                                       
CONECT   34   33   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   30                                                       
CONECT   39   34   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   43                                                  
CONECT   42   41   43                                                       
CONECT   43   42    6   41   44                                             
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₃ClN₂O₉

Average Mass

635.1500 Da

Monoisotopic Mass

634.26571 Da

IUPAC Name

(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18,22-hexaen-6-yl propanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

CCC(=O)O[C@H]1CC(=O)N(C)C2=CC(C\C(C)=C/C=C\[C@@H](OC)[C@]3(C[C@H](OC(O)=N3)[C@@H](C)[C@@H]3O[C@@]13C)OC)=CC(OC)=C2Cl

InChI Identifier

InChI=1S/C32H43ClN2O9/c1-9-27(37)43-25-16-26(36)35(5)21-14-20(15-22(39-6)28(21)33)13-18(2)11-10-12-24(40-7)32(41-8)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h10-12,14-15,19,23-25,29H,9,13,16-17H2,1-8H3,(H,34,38)/b12-10-,18-11-/t19-,23+,24?,25+,29+,31+,32+/m1/s1

InChI Key

SPMKSUQFIONEER-LQJVEZGESA-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
Actinosynnema pretiosum	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	5.47	ChemAxon
pKa (Strongest Acidic)	3.78	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	128.65 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	164.13 m³·mol⁻¹	ChemAxon
Polarizability	65.04 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate (NP0296591)

MOL for NP0296591 ((1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate)

3D MOL for NP0296591 ((1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate)

3D SDF for NP0296591 ((1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate)

3D-SDF for NP0296591 ((1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate)

PDB for NP0296591 ((1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate)

3D PDB for NP0296591 ((1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate)

SMILES for NP0296591 ((1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate)

INCHI for NP0296591 ((1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate)

Structure for NP0296591 ((1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate)

3D Structure for NP0296591 ((1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-23-hydroxy-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8-oxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18,22-hexaen-6-yl propanoate)