NP-MRD: Showing NP-Card for n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid (NP0144620)

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Record Information

Version

2.0

Created at

2022-09-01 23:38:08 UTC

Updated at

2022-09-01 23:38:08 UTC

NP-MRD ID

NP0144620

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022201382D          

 43 46  0  0  0  0            999 V2000
    6.5451   -1.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7957   -1.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7198   -0.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3398   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0138    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4353    1.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1923    0.4758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5862    1.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7679    1.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3435    3.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3741    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924    1.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7985    0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6168   -0.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228   -0.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2534   -1.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6473   -1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8595   -1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0107    1.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7985    1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    1.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0106   -0.3289    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  2  0  0  0  0
  5  7  1  0  0  0  0
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  8 14  1  0  0  0  0
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 13 42  1  0  0  0  0
 16 43  1  0  0  0  0
  3 43  1  0  0  0  0
  7 43  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309022201382D          

 43 46  0  0  0  0            999 V2000
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    4.2228   -0.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411   -1.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534   -1.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6473   -1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8595   -1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534   -0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4657   -0.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2840   -1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8900   -2.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6778   -2.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7084   -3.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794   -3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3144   -3.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327   -4.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450   -4.7730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7388   -5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571   -5.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5266   -4.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1404   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282   -0.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413    0.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5648    0.9299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290    0.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4351    0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0107    1.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7985    1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    1.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0106   -0.3289    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  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 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  2  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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 26  1  4  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 22 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 13 42  1  0  0  0  0
 16 43  1  0  0  0  0
  3 43  1  0  0  0  0
  7 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0144620

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC(=O)N2C1C1OC3=C(CC\C=C(C)\C(O)C(C)C(C\C=C\C=C/1)OC(=O)C(C)N=C(O)C(C)C)C=C(O)C=C23

> <INCHI_IDENTIFIER>
InChI=1S/C33H44N2O8/c1-18(2)32(39)34-21(5)33(40)43-25-13-8-7-9-14-26-29-27(41-6)17-28(37)35(29)24-16-23(36)15-22(31(24)42-26)12-10-11-19(3)30(38)20(25)4/h7-9,11,14-16,18,20-21,25-27,29-30,36,38H,10,12-13,17H2,1-6H3,(H,34,39)/b8-7+,14-9-,19-11+

> <INCHI_KEY>
CSPLOMMYFKCXIH-FCXDSNCVSA-N

> <FORMULA>
C33H44N2O8

> <MOLECULAR_WEIGHT>
596.721

> <EXACT_MASS>
596.309766385

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
64.1542189591564

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(1-{[(4E,10E,12Z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0^{15,19}.0^{20,24}]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid

> <ALOGPS_LOGP>
4.11

> <JCHEM_LOGP>
4.513308389666666

> <ALOGPS_LOGS>
-4.47

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.721573453888517

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.739413133036269

> <JCHEM_PKA_STRONGEST_BASIC>
1.70386583353238

> <JCHEM_POLAR_SURFACE_AREA>
138.12

> <JCHEM_REFRACTIVITY>
163.83460000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.04e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(1-{[(4E,10E,12Z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0^{15,19}.0^{20,24}]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      12.217  -3.578   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.819  -2.934   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      10.677  -1.401   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.834  -0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.226   1.030   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      12.013   2.354   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0       9.692   0.888   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       8.561   1.933   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.900   3.435   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.769   4.480   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       8.108   5.982   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.298   4.023   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.959   2.521   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.090   1.476   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.751  -0.026   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       7.883  -1.071   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.543  -2.573   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.073  -3.031   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.942  -1.986   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.471  -2.443   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.340  -1.399   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.869  -1.856   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.530  -3.358   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.661  -4.403   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.132  -3.946   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.322  -5.905   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.148  -6.363   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0       2.454  -6.950   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       2.114  -8.452   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.644  -8.910   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.246  -9.497   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.907 -10.999   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.716  -9.040   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.262  -0.811   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.733  -1.269   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.077   0.691   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -1.054   1.736   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       1.548   1.148   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.679   0.104   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.887   2.651   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.357   3.108   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.489   2.063   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.353  -0.614   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   43                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   43                                                  
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   42                                                  
CONECT   14   13    8   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   43                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   34                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   22   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   13                                                       
CONECT   43   16    3    7                                                  
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₄₄N₂O₈

Average Mass

596.7210 Da

Monoisotopic Mass

596.30977 Da

IUPAC Name

N-(1-{[(4E,10E,12Z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0^{15,19}.0^{20,24}]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1CC(=O)N2C1C1OC3=C(CC\C=C(C)\C(O)C(C)C(C\C=C\C=C/1)OC(=O)C(C)N=C(O)C(C)C)C=C(O)C=C23

InChI Identifier

InChI=1S/C33H44N2O8/c1-18(2)32(39)34-21(5)33(40)43-25-13-8-7-9-14-26-29-27(41-6)17-28(37)35(29)24-16-23(36)15-22(31(24)42-26)12-10-11-19(3)30(38)20(25)4/h7-9,11,14-16,18,20-21,25-27,29-30,36,38H,10,12-13,17H2,1-6H3,(H,34,39)/b8-7+,14-9-,19-11+

InChI Key

CSPLOMMYFKCXIH-FCXDSNCVSA-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
Streptomyces seoulensis	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	4.11	ALOGPS
logP	4.51	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	5.74	ChemAxon
pKa (Strongest Basic)	1.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	138.12 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	163.83 m³·mol⁻¹	ChemAxon
Polarizability	64.15 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	Yes	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid (NP0144620)

MOL for NP0144620 (n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid)

3D MOL for NP0144620 (n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid)

3D SDF for NP0144620 (n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid)

3D-SDF for NP0144620 (n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid)

PDB for NP0144620 (n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid)

3D PDB for NP0144620 (n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid)

SMILES for NP0144620 (n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid)

INCHI for NP0144620 (n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid)

Structure for NP0144620 (n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid)

3D Structure for NP0144620 (n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-2-methylpropanimidic acid)