NP-MRD: Showing NP-Card for (10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate (NP0220340)

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Record Information

Version

2.0

Created at

2022-09-05 21:37:28 UTC

Updated at

2022-09-05 21:37:28 UTC

NP-MRD ID

NP0220340

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate

Description

Azalomycin F4a 2-ethylpentyl ester 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 Azalomycin F4a 2-ethylpentyl ester.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052223372D          

 83 84  0  0  0  0            999 V2000
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M  END


  Mrv1652309052223372D          

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    6.6999   -0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1766   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9854   -1.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073   -1.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3921   -1.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675   -1.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661   -2.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7616   -1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115   -2.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019   -0.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141   -0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -1.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3516    4.7804    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  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  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 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
 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
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  2  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  2  0  0  0  0
 66 68  1  0  0  0  0
 68 69  1  0  0  0  0
 54 70  1  0  0  0  0
 70 71  1  0  0  0  0
 70 72  1  0  0  0  0
 72 73  2  0  0  0  0
 73 74  1  0  0  0  0
 74 75  2  0  0  0  0
 75 76  1  0  0  0  0
 75 77  1  0  0  0  0
 77 78  1  0  0  0  0
 77 79  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 80 82  1  0  0  0  0
 15 82  1  0  0  0  0
 26 83  1  0  0  0  0
 20 83  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0220340

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC(CC)COC(=O)CC(=O)OC1CC(O)CC2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C)\C=C/C=C(C)\C(=O)OC(C(C)CCC\C=C\CCCNC(=N)NC)C(C)\C=C/C=C(C)\C(O)CC(O)C1)O2

> <INCHI_IDENTIFIER>
InChI=1S/C63H109N3O17/c1-11-21-46(12-2)38-80-57(75)36-58(76)81-49-30-47(67)32-50-34-55(73)60(77)63(79,83-50)37-56(74)41(5)27-28-51(69)45(9)54(72)35-53(71)40(4)24-20-26-44(8)61(78)82-59(43(7)25-19-23-39(3)52(70)33-48(68)31-49)42(6)22-17-15-13-14-16-18-29-66-62(64)65-10/h13-14,19-20,23-26,40-43,45-56,59-60,67-74,77,79H,11-12,15-18,21-22,27-38H2,1-10H3,(H3,64,65,66)/b14-13+,24-20-,25-19-,39-23-,44-26-

> <INCHI_KEY>
GHXGVGWREDOHFM-TTZJCZNXSA-N

> <FORMULA>
C63H109N3O17

> <MOLECULAR_WEIGHT>
1180.569

> <EXACT_MASS>
1179.775699062

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
192

> <JCHEM_AVERAGE_POLARIZABILITY>
134.5690940501576

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
13

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(10Z,12Z,18Z,20Z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6E)-10-(N'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate

> <JCHEM_LOGP>
4.262063393073277

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.981588657557543

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.909430053785927

> <JCHEM_PKA_STRONGEST_BASIC>
12.561100619513637

> <JCHEM_POLAR_SURFACE_AREA>
338.34000000000003

> <JCHEM_REFRACTIVITY>
333.9365999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(10Z,12Z,18Z,20Z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6E)-10-(N'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate

> <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     -12.879   1.437   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -11.545   0.667   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -10.212   1.437   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.878   0.667   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.878  -0.873   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.544  -1.643   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.544   1.437   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -6.211   0.667   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.877   1.437   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -4.877   2.977   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.543   0.667   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.210   1.437   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.210   2.977   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -0.876   0.667   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.458   1.437   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.186   2.836   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.562   4.330   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -2.083   4.094   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -0.656   5.867   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.467   7.395   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.951   6.795   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.180   7.723   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.598   7.123   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.991   9.251   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.220  10.179   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.573   9.852   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -0.910   9.434   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.694  11.419   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.863  12.421   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.973  13.678   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.197  13.191   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.553  14.590   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.649  13.703   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.171  13.939   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.710  13.892   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       8.900  15.420   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      10.215  13.562   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.682  15.030   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      11.633  12.962   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      12.362  14.319   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      12.917  12.111   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      14.022  11.039   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      15.192  12.041   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      14.912   9.782   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      16.246  10.552   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      15.556   8.383   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      15.931   6.890   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      16.026   5.353   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      15.837   3.824   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      17.341   3.495   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      15.370   2.357   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      16.788   1.757   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      14.641   1.000   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      13.676  -0.200   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      14.782  -1.272   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      16.263  -0.850   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      14.406  -2.765   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      15.512  -3.837   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      15.136  -5.331   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      16.241  -6.403   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      15.866  -7.896   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      16.971  -8.968   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      16.596 -10.462   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      17.701 -11.534   0.000  0.00  0.00           C+0
HETATM   65  N   UNK     0      17.326 -13.027   0.000  0.00  0.00           N+0
HETATM   66  C   UNK     0      18.431 -14.099   0.000  0.00  0.00           C+0
HETATM   67  N   UNK     0      19.913 -13.678   0.000  0.00  0.00           N+0
HETATM   68  N   UNK     0      18.056 -15.593   0.000  0.00  0.00           N+0
HETATM   69  C   UNK     0      19.161 -16.665   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      12.507  -1.202   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      13.396  -2.458   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      11.173  -1.972   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0       9.720  -2.483   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0       8.199  -2.720   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0       6.659  -2.672   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0       6.470  -4.200   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0       5.155  -2.343   0.000  0.00  0.00           C+0
HETATM   78  O   UNK     0       4.688  -3.810   0.000  0.00  0.00           O+0
HETATM   79  C   UNK     0       3.737  -1.742   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0       2.453  -0.892   0.000  0.00  0.00           C+0
HETATM   81  O   UNK     0       1.488  -2.092   0.000  0.00  0.00           O+0
HETATM   82  C   UNK     0       1.347   0.180   0.000  0.00  0.00           C+0
HETATM   83  O   UNK     0      -0.656   8.923   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5                                                            
CONECT    7    4    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   82                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   83                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28   83                                             
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   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   54                                                       
CONECT   54   53   55   70                                                  
CONECT   55   54   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60   62                                                       
CONECT   62   61   63                                                       
CONECT   63   62   64                                                       
CONECT   64   63   65                                                       
CONECT   65   64   66                                                       
CONECT   66   65   67   68                                                  
CONECT   67   66                                                            
CONECT   68   66   69                                                       
CONECT   69   68                                                            
CONECT   70   54   71   72                                                  
CONECT   71   70                                                            
CONECT   72   70   73                                                       
CONECT   73   72   74                                                       
CONECT   74   73   75                                                       
CONECT   75   74   76   77                                                  
CONECT   76   75                                                            
CONECT   77   75   78   79                                                  
CONECT   78   77                                                            
CONECT   79   77   80                                                       
CONECT   80   79   81   82                                                  
CONECT   81   80                                                            
CONECT   82   80   15                                                       
CONECT   83   26   20                                                       
MASTER        0    0    0    0    0    0    0    0   83    0  168    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₃H₁₀₉N₃O₁₇

Average Mass

1180.5690 Da

Monoisotopic Mass

1179.77570 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCC(CC)COC(=O)CC(=O)OC1CC(O)CC2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C)\C=C/C=C(C)\C(=O)OC(C(C)CCC\C=C\CCCNC(=N)NC)C(C)\C=C/C=C(C)\C(O)CC(O)C1)O2

InChI Identifier

InChI=1S/C63H109N3O17/c1-11-21-46(12-2)38-80-57(75)36-58(76)81-49-30-47(67)32-50-34-55(73)60(77)63(79,83-50)37-56(74)41(5)27-28-51(69)45(9)54(72)35-53(71)40(4)24-20-26-44(8)61(78)82-59(43(7)25-19-23-39(3)52(70)33-48(68)31-49)42(6)22-17-15-13-14-16-18-29-66-62(64)65-10/h13-14,19-20,23-26,40-43,45-56,59-60,67-74,77,79H,11-12,15-18,21-22,27-38H2,1-10H3,(H3,64,65,66)/b14-13+,24-20-,25-19-,39-23-,44-26-

InChI Key

GHXGVGWREDOHFM-TTZJCZNXSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

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
Tricarboxylic acid or derivatives
1,3-dicarbonyl compound
Oxane
Monosaccharide
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Lactone
Hemiacetal
Guanidine
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboximidamide
Polyol
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Imine
Carbonyl group
Alcohol
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

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

78444058

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139585016

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate (NP0220340)

MOL for NP0220340 ((10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate)

3D MOL for NP0220340 ((10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate)

3D SDF for NP0220340 ((10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate)

3D-SDF for NP0220340 ((10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate)

PDB for NP0220340 ((10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate)

3D PDB for NP0220340 ((10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate)

SMILES for NP0220340 ((10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate)

INCHI for NP0220340 ((10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate)

Structure for NP0220340 ((10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate)

3D Structure for NP0220340 ((10z,12z,18z,20z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(6e)-10-(n'-methylcarbamimidamido)dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl 1-(2-ethylpentyl) propanedioate)