NP-MRD: Showing NP-Card for 3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol (NP0304712)

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Record Information

Version

2.0

Created at

2022-09-10 20:00:39 UTC

Updated at

2022-09-10 20:00:40 UTC

NP-MRD ID

NP0304712

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol

Description

3,6-Dibenzyl-9,15-bis(2-methylpropyl)-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on 3,6-dibenzyl-9,15-bis(2-methylpropyl)-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102222002D          

 45 47  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309102222002D          

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   -5.2430    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0714    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 N   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
   -3.5724    1.2375    0.0000 O   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
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448    3.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602    3.5971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    4.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032    5.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0186    4.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4055    5.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791    5.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5506    4.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    3.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8471    4.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009    4.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5365    5.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0516    6.3351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3570    5.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6925    6.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2076    7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5432    7.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3871    7.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8419    5.0864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6624    5.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1473    5.6676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9979    4.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8184    4.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1540    3.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3033    4.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5130    3.5791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6845    2.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4692    2.5172    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 17  9  1  4  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 28 20  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
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 36 31  1  4  0  0  0
 36 37  2  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
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 43 39  1  4  0  0  0
 43 44  2  0  0  0  0
  5 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0304712

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CC1N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC(C)C)N=C(O)C(N=C1O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C35H49N5O5/c1-21(2)17-26-31(41)37-29(20-25-15-11-8-12-16-25)33(43)38-28(19-24-13-9-7-10-14-24)32(42)36-27(18-22(3)4)34(44)40-30(23(5)6)35(45)39-26/h7-16,21-23,26-30H,17-20H2,1-6H3,(H,36,42)(H,37,41)(H,38,43)(H,39,45)(H,40,44)

> <INCHI_KEY>
GYBIEUKVACOKPM-UHFFFAOYSA-N

> <FORMULA>
C35H49N5O5

> <MOLECULAR_WEIGHT>
619.807

> <EXACT_MASS>
619.373369698

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
94

> <JCHEM_AVERAGE_POLARIZABILITY>
68.02212823664144

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,6-dibenzyl-9,15-bis(2-methylpropyl)-12-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol

> <JCHEM_LOGP>
4.123851663862302

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
1.5720958818653

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.6853470539408195

> <JCHEM_PKA_STRONGEST_BASIC>
8.485253801736997

> <JCHEM_POLAR_SURFACE_AREA>
162.95000000000002

> <JCHEM_REFRACTIVITY>
174.6763000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol

> <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     -11.572   0.656   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -11.252   2.162   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.396   3.192   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.787   2.638   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.467   4.144   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -8.002   4.620   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -6.668   2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -5.335   6.160   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -4.190   7.190   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.726   6.715   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -4.510   8.697   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.366   9.727   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.901   9.251   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.757  10.282   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.708   9.806   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.028   8.300   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.117   7.269   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.581   7.745   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      -5.975   9.173   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      -6.601  10.580   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -5.696  11.825   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -8.133  10.741   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -8.759  12.147   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -7.854  13.393   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -8.481  14.800   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -6.323  13.232   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0      -9.038   9.495   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0     -10.570   9.334   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0     -11.475  10.580   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0     -11.196   7.927   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0     -12.728   7.766   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0     -13.354   6.359   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0     -13.633   9.012   0.000  0.00  0.00           C+0
HETATM   43  N   UNK     0     -10.291   6.681   0.000  0.00  0.00           N+0
HETATM   44  C   UNK     0     -10.611   5.175   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0     -12.076   4.699   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   44                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   11                                                       
CONECT   17    9   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   22                                                       
CONECT   28   20   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   31   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   43                                                  
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
CONECT   43   39   44                                                       
CONECT   44   43    5   45                                                  
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₄₉N₅O₅

Average Mass

619.8070 Da

Monoisotopic Mass

619.37337 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)CC1N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC(C)C)N=C(O)C(N=C1O)C(C)C

InChI Identifier

InChI=1S/C35H49N5O5/c1-21(2)17-26-31(41)37-29(20-25-15-11-8-12-16-25)33(43)38-28(19-24-13-9-7-10-14-24)32(42)36-27(18-22(3)4)34(44)40-30(23(5)6)35(45)39-26/h7-16,21-23,26-30H,17-20H2,1-6H3,(H,36,42)(H,37,41)(H,38,43)(H,39,45)(H,40,44)

InChI Key

GYBIEUKVACOKPM-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Cyclic alpha peptide
Macrolactam
Alpha-amino acid or derivatives
Benzenoid
Monocyclic benzene moiety
Secondary carboxylic acid amide
Lactam
Carboxamide group
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

75970292

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol (NP0304712)

MOL for NP0304712 (3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

3D MOL for NP0304712 (3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

3D SDF for NP0304712 (3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

3D-SDF for NP0304712 (3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

PDB for NP0304712 (3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

3D PDB for NP0304712 (3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

SMILES for NP0304712 (3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

INCHI for NP0304712 (3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

Structure for NP0304712 (3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

3D Structure for NP0304712 (3,6-dibenzyl-12-isopropyl-9,15-bis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)