NP-MRD: Showing NP-Card for 1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione (NP0272009)

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Record Information

Version

2.0

Created at

2022-09-08 18:29:08 UTC

Updated at

2022-09-08 18:29:09 UTC

NP-MRD ID

NP0272009

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione

Description

3-(Butan-2-yl)-1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-6,19-bis(propan-2-yl)-3H,6H,9H,10H,12H,13H,16H,19H,22H,23H,25H,26H,27H,27aH-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Based on a literature review very few articles have been published on 3-(butan-2-yl)-1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-6,19-bis(propan-2-yl)-3H,6H,9H,10H,12H,13H,16H,19H,22H,23H,25H,26H,27H,27aH-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309082220292D          

 79 80  0  0  0  0            999 V2000
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M  END


  Mrv1652309082220292D          

 79 80  0  0  0  0            999 V2000
  -15.7184   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730   -2.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 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
 18 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
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  4  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  4  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 38 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 44 45  1  4  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 49 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  2  0  0  0  0
 56 57  1  4  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  1  0  0  0  0
 60 61  1  0  0  0  0
 57 62  1  0  0  0  0
 62 63  1  0  0  0  0
 62 64  2  0  0  0  0
 64 65  1  4  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 66 68  1  0  0  0  0
 65 69  1  0  0  0  0
 69 70  1  0  0  0  0
 69 71  2  0  0  0  0
 71 72  1  4  0  0  0
 72 73  1  0  0  0  0
 73 74  1  0  0  0  0
 73 75  1  0  0  0  0
 75 76  1  0  0  0  0
 72 77  1  0  0  0  0
 77 78  2  0  0  0  0
 77 79  1  0  0  0  0
 26 79  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0272009

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCC1CC(O)=NC(C(C)O)C(O)=NC(C(C)C)C(O)=NC(C)C(=O)N2CCCC2C(O)=NC(C(C)CC)C(O)=NC(C(C)C)C(O)=NC(C(C)OC)C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C61H111N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-47-40-49(70)63-53(45(9)69)59(75)65-50(41(3)4)56(72)62-44(8)60(76)68-39-36-38-48(68)55(71)66-52(43(7)13-2)58(74)64-51(42(5)6)57(73)67-54(46(10)78-11)61(77)79-47/h41-48,50-54,69H,12-40H2,1-11H3,(H,62,72)(H,63,70)(H,64,74)(H,65,75)(H,66,71)(H,67,73)

> <INCHI_KEY>
SCDFAXTXIBQUMV-UHFFFAOYSA-N

> <FORMULA>
C61H111N7O11

> <MOLECULAR_WEIGHT>
1118.597

> <EXACT_MASS>
1117.834157422

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
190

> <JCHEM_AVERAGE_POLARIZABILITY>
134.13251661866286

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(butan-2-yl)-1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-6,19-bis(propan-2-yl)-3H,6H,9H,10H,12H,13H,16H,19H,22H,23H,25H,26H,27H,27aH-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione

> <JCHEM_LOGP>
14.728592142320702

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.531953116413533

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0030603551371966

> <JCHEM_PKA_STRONGEST_BASIC>
1.5467881661749252

> <JCHEM_POLAR_SURFACE_AREA>
271.61

> <JCHEM_REFRACTIVITY>
310.484

> <JCHEM_ROTATABLE_BOND_COUNT>
31

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3H,6H,9H,12H,13H,16H,19H,22H,25H,26H,27H,27aH-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0     -29.341  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -28.007  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -26.674  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -25.340  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -24.006  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -22.673  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -21.339  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -20.005  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -18.672  -4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -17.338  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.261  -0.626   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.686  -0.043   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0       0.230   0.518   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       1.000   1.852   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.374   3.259   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.279   4.504   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.158   3.420   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.506   1.532   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       3.176   0.145   0.000  0.00  0.00           O+0
HETATM   37  N   UNK     0       4.001   2.310   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       7.574   3.556   0.000  0.00  0.00           O+0
HETATM   44  N   UNK     0       8.002   1.540   0.000  0.00  0.00           N+0
HETATM   45  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      10.669  -0.000   0.000  0.00  0.00           O+0
HETATM   49  N   UNK     0      12.003   2.310   0.000  0.00  0.00           N+0
HETATM   50  C   UNK     0      12.323   3.816   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      13.855   3.977   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      14.481   2.570   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      13.337   1.540   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      13.337  -0.000   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      12.003  -0.770   0.000  0.00  0.00           O+0
HETATM   56  N   UNK     0      14.670  -0.770   0.000  0.00  0.00           N+0
HETATM   57  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      17.338  -2.310   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      18.672  -3.080   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   64  N   UNK     0      12.003  -2.310   0.000  0.00  0.00           N+0
HETATM   65  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   70  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   71  N   UNK     0       8.002  -3.080   0.000  0.00  0.00           N+0
HETATM   72  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0       6.668  -3.850   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   75  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   76  C   UNK     0       8.002  -6.160   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   78  O   UNK     0       4.430  -4.326   0.000  0.00  0.00           O+0
HETATM   79  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   79                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   35                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   31   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   42                                                  
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   38   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50   53                                                  
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   49   54                                                  
CONECT   54   53   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   57                                                       
CONECT   57   56   58   62                                                  
CONECT   58   57   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58   61                                                       
CONECT   61   60                                                            
CONECT   62   57   63   64                                                  
CONECT   63   62                                                            
CONECT   64   62   65                                                       
CONECT   65   64   66   69                                                  
CONECT   66   65   67   68                                                  
CONECT   67   66                                                            
CONECT   68   66                                                            
CONECT   69   65   70   71                                                  
CONECT   70   69                                                            
CONECT   71   69   72                                                       
CONECT   72   71   73   77                                                  
CONECT   73   72   74   75                                                  
CONECT   74   73                                                            
CONECT   75   73   76                                                       
CONECT   76   75                                                            
CONECT   77   72   78   79                                                  
CONECT   78   77                                                            
CONECT   79   77   26                                                       
MASTER        0    0    0    0    0    0    0    0   79    0  160    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₁H₁₁₁N₇O₁₁

Average Mass

1118.5970 Da

Monoisotopic Mass

1117.83416 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC1CC(O)=NC(C(C)O)C(O)=NC(C(C)C)C(O)=NC(C)C(=O)N2CCCC2C(O)=NC(C(C)CC)C(O)=NC(C(C)C)C(O)=NC(C(C)OC)C(=O)O1

InChI Identifier

InChI=1S/C61H111N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-47-40-49(70)63-53(45(9)69)59(75)65-50(41(3)4)56(72)62-44(8)60(76)68-39-36-38-48(68)55(71)66-52(43(7)13-2)58(74)64-51(42(5)6)57(73)67-54(46(10)78-11)61(77)79-47/h41-48,50-54,69H,12-40H2,1-11H3,(H,62,72)(H,63,70)(H,64,74)(H,65,75)(H,66,71)(H,67,73)

InChI Key

SCDFAXTXIBQUMV-UHFFFAOYSA-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 cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Depsipeptides

Direct Parent

Cyclic depsipeptides

Alternative Parents

Substituents

Cyclic depsipeptide
Macrolide lactam
Alpha-amino acid ester
Macrolactam
Macrolide
Alpha-amino acid or derivatives
Pyrrolidine
Tertiary carboxylic acid amide
Carboxamide group
Carboxylic acid ester
Lactam
Lactone
Secondary alcohol
Secondary carboxylic acid amide
Monocarboxylic acid or derivatives
Oxacycle
Azacycle
Carboxylic acid derivative
Organoheterocyclic compound
Dialkyl ether
Ether
Hydrocarbon derivative
Organic nitrogen compound
Organopnictogen compound
Organic oxygen compound
Organic oxide
Organonitrogen compound
Organooxygen compound
Alcohol
Carbonyl group
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

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

76526200

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione (NP0272009)

MOL for NP0272009 (1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione)

3D MOL for NP0272009 (1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione)

3D SDF for NP0272009 (1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione)

3D-SDF for NP0272009 (1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione)

PDB for NP0272009 (1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione)

3D PDB for NP0272009 (1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione)

SMILES for NP0272009 (1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione)

INCHI for NP0272009 (1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione)

Structure for NP0272009 (1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione)

3D Structure for NP0272009 (1,4,7,14,17,20-hexahydroxy-16-(1-hydroxyethyl)-6,19-diisopropyl-9-(1-methoxyethyl)-22-methyl-12-pentacosyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-10,23-dione)