NP-MRD: Showing NP-Card for 3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol (NP0293876)

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Record Information

Version

2.0

Created at

2022-09-10 02:07:53 UTC

Updated at

2022-09-10 02:07:53 UTC

NP-MRD ID

NP0293876

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

3-Benzyl-6,9,12,15-tetrakis(2-methylpropyl)-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-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-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


  Mrv1652309102204072D          

 43 44  0  0  0  0            999 V2000
   -6.6407    1.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309102204072D          

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   -6.1991    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -0.8471    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
   -7.3033    4.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1238    4.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9678    5.5814    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  1  0  0  0  0
 22 24  1  0  0  0  0
 25 20  1  4  0  0  0
 25 26  2  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
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 33 28  1  4  0  0  0
 33 34  2  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
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 41 36  1  4  0  0  0
 41 42  2  0  0  0  0
  5 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0293876

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)

> <INCHI_KEY>
RENOKKJLSNZWDC-UHFFFAOYSA-N

> <FORMULA>
C33H53N5O5

> <MOLECULAR_WEIGHT>
599.817

> <EXACT_MASS>
599.404669827

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
67.73017643242605

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <JCHEM_LOGP>
4.17435155430091

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
1.7148531375680278

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.4282897858281691

> <JCHEM_PKA_STRONGEST_BASIC>
8.91948091671078

> <JCHEM_POLAR_SURFACE_AREA>
162.95000000000002

> <JCHEM_REFRACTIVITY>
168.40890000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-benzyl-6,9,12,15-tetrakis(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     -12.396   3.192   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     -11.572   0.656   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      -1.581   7.745   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      -5.975   9.173   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      -6.601  10.580   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -5.696  11.825   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -8.133  10.741   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -8.759  12.147   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -7.854  13.393   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -8.481  14.800   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -6.323  13.232   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0      -9.038   9.495   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0     -10.570   9.334   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0     -11.475  10.580   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0     -11.196   7.927   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -12.728   7.766   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -13.633   9.012   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -15.164   8.851   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0     -13.007  10.419   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0     -10.291   6.681   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0     -10.611   5.175   0.000  0.00  0.00           C+0
HETATM   43  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   42                                                  
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   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   20   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   28   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   41                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   36   42                                                       
CONECT   42   41    5   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₅₃N₅O₅

Average Mass

599.8170 Da

Monoisotopic Mass

599.40467 Da

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C33H53N5O5/c1-19(2)14-24-29(39)34-25(15-20(3)4)30(40)36-27(17-22(7)8)32(42)38-28(18-23-12-10-9-11-13-23)33(43)37-26(16-21(5)6)31(41)35-24/h9-13,19-22,24-28H,14-18H2,1-8H3,(H,34,39)(H,35,41)(H,36,40)(H,37,43)(H,38,42)

InChI Key

RENOKKJLSNZWDC-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
Monocyclic benzene moiety
Benzenoid
Carboxamide group
Lactam
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
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
logP	4.17	ChemAxon
pKa (Strongest Acidic)	0.43	ChemAxon
pKa (Strongest Basic)	8.92	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	162.95 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	168.41 m³·mol⁻¹	ChemAxon
Polarizability	67.73 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

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

163063235

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol (NP0293876)

MOL for NP0293876 (3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

3D MOL for NP0293876 (3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

3D SDF for NP0293876 (3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

3D-SDF for NP0293876 (3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

PDB for NP0293876 (3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

3D PDB for NP0293876 (3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

SMILES for NP0293876 (3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

INCHI for NP0293876 (3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

Structure for NP0293876 (3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)

3D Structure for NP0293876 (3-benzyl-6,9,12,15-tetrakis(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol)