NP-MRD: Showing NP-Card for 8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone (NP0256459)

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Record Information

Version

2.0

Created at

2022-09-07 21:17:46 UTC

Updated at

2022-09-07 21:17:46 UTC

NP-MRD ID

NP0256459

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone

Description

3-(Butan-2-yl)-8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. Based on a literature review very few articles have been published on 3-(butan-2-yl)-8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072223172D          

 67 67  0  0  0  0            999 V2000
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    2.7880   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2767   -2.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7870   -2.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 12 14  1  0  0  0  0
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 17 18  1  4  0  0  0
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  5 66  1  0  0  0  0
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M  END

     RDKit          3D

156156  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309072223172D          

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 59 61  2  0  0  0  0
 61 62  1  4  0  0  0
 62 63  1  0  0  0  0
 62 64  1  0  0  0  0
 64 65  2  0  0  0  0
 64 66  1  0  0  0  0
  5 66  1  0  0  0  0
 66 67  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0256459

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1N(C)C(=O)C(C)N=C(O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N=C(O)C(C)N=C(O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N=C(O)C(C)N=C(O)C(CC(C)C)N(C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C49H89N9O9/c1-20-31(12)40-49(67)57(18)39(25-30(10)11)44(62)51-33(14)42(60)53-35(21-26(2)3)47(65)55(16)37(23-28(6)7)43(61)50-32(13)41(59)54-36(22-27(4)5)48(66)56(17)38(24-29(8)9)45(63)52-34(15)46(64)58(40)19/h26-40H,20-25H2,1-19H3,(H,50,61)(H,51,62)(H,52,63)(H,53,60)(H,54,59)

> <INCHI_KEY>
HHRMCEGCINMIBN-UHFFFAOYSA-N

> <FORMULA>
C49H89N9O9

> <MOLECULAR_WEIGHT>
948.305

> <EXACT_MASS>
947.678325482

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
156

> <JCHEM_AVERAGE_POLARIZABILITY>
106.87691741417781

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(butan-2-yl)-8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone

> <JCHEM_LOGP>
7.766668589666672

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.1170653644271225

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6473855268096167

> <JCHEM_PKA_STRONGEST_BASIC>
2.1896359484414045

> <JCHEM_POLAR_SURFACE_AREA>
244.18999999999994

> <JCHEM_REFRACTIVITY>
259.83650000000017

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       5.472   1.236   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.651   0.246   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.384  -1.270   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.564  -2.260   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.937  -1.797   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.757  -0.807   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.025   0.710   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       2.310  -1.334   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       1.783  -2.781   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.540  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.540   2.667   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   2.667   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.310   4.001   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.770   1.334   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      -0.770  -1.334   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -2.217  -0.807   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.485   0.710   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.397  -1.797   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.844  -1.270   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      -3.129  -3.313   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      -4.577  -3.840   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.756  -2.850   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -7.203  -3.377   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.471  -4.894   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -8.383  -2.387   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.844  -5.357   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -6.291  -5.883   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0      -3.664  -6.347   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      -2.148  -6.079   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.434  -7.680   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -5.974  -7.680   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.744  -9.014   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.974 -10.348   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -8.284  -9.014   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.664  -9.014   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -4.434 -10.348   0.000  0.00  0.00           O+0
HETATM   39  N   UNK     0      -2.124  -9.014   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0      -1.857 -10.531   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -3.037 -11.521   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -0.410 -11.057   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -0.142 -12.574   0.000  0.00  0.00           O+0
HETATM   44  N   UNK     0       0.770 -10.067   0.000  0.00  0.00           N+0
HETATM   45  C   UNK     0       1.950 -11.057   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       1.682 -12.574   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       2.862 -13.564   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       4.309 -13.037   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       2.595 -15.080   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       3.397 -10.531   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       4.577 -11.521   0.000  0.00  0.00           O+0
HETATM   52  N   UNK     0       3.664  -9.014   0.000  0.00  0.00           N+0
HETATM   53  C   UNK     0       2.674  -7.834   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       5.204  -9.014   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       5.974 -10.348   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       7.514 -10.348   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       8.284  -9.014   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       8.284 -11.681   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       5.974  -7.680   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0       7.514  -7.680   0.000  0.00  0.00           O+0
HETATM   61  N   UNK     0       5.204  -6.347   0.000  0.00  0.00           N+0
HETATM   62  C   UNK     0       6.384  -5.357   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       7.831  -5.883   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       6.117  -3.840   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0       7.296  -2.850   0.000  0.00  0.00           O+0
HETATM   66  N   UNK     0       4.669  -3.313   0.000  0.00  0.00           N+0
HETATM   67  C   UNK     0       3.336  -4.083   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   66                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   10   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   23   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   32   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46   50                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47                                                            
CONECT   50   45   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   55   59                                                  
CONECT   55   54   56                                                       
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56                                                            
CONECT   59   54   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   62                                                       
CONECT   62   61   63   64                                                  
CONECT   63   62                                                            
CONECT   64   62   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64    5   67                                                  
CONECT   67   66                                                            
MASTER        0    0    0    0    0    0    0    0   67    0  134    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₉H₈₉N₉O₉

Average Mass

948.3050 Da

Monoisotopic Mass

947.67833 Da

IUPAC Name

3-(butan-2-yl)-8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone

Traditional Name

8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone

CAS Registry Number

Not Available

SMILES

CCC(C)C1N(C)C(=O)C(C)N=C(O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N=C(O)C(C)N=C(O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N=C(O)C(C)N=C(O)C(CC(C)C)N(C)C1=O

InChI Identifier

InChI=1S/C49H89N9O9/c1-20-31(12)40-49(67)57(18)39(25-30(10)11)44(62)51-33(14)42(60)53-35(21-26(2)3)47(65)55(16)37(23-28(6)7)43(61)50-32(13)41(59)54-36(22-27(4)5)48(66)56(17)38(24-29(8)9)45(63)52-34(15)46(64)58(40)19/h26-40H,20-25H2,1-19H3,(H,50,61)(H,51,62)(H,52,63)(H,53,60)(H,54,59)

InChI Key

HHRMCEGCINMIBN-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 cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Cyclic peptides

Alternative Parents

Substituents

Cyclic alpha peptide
Macrolactam
Alpha-amino acid or derivatives
Tertiary carboxylic acid amide
Cyclic carboximidic acid
Carboxamide group
Lactam
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organic nitrogen compound
Organic oxygen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	7.77	ChemAxon
pKa (Strongest Acidic)	3.65	ChemAxon
pKa (Strongest Basic)	2.19	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	244.19 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	259.84 m³·mol⁻¹	ChemAxon
Polarizability	106.88 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	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

73237639

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone (NP0256459)

MOL for NP0256459 (8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone)

3D MOL for NP0256459 (8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone)

3D SDF for NP0256459 (8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone)

3D-SDF for NP0256459 (8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone)

PDB for NP0256459 (8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone)

3D PDB for NP0256459 (8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone)

SMILES for NP0256459 (8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone)

INCHI for NP0256459 (8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone)

Structure for NP0256459 (8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone)

3D Structure for NP0256459 (8,14,17,23,26-pentahydroxy-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-3-(sec-butyl)-1,4,7,10,13,16,19,22,25-nonaazacycloheptacosa-7,13,16,22,25-pentaene-2,5,11,20-tetrone)