NP-MRD: Showing NP-Card for 12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one (NP0234126)

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Record Information

Version

2.0

Created at

2022-09-06 15:59:12 UTC

Updated at

2022-09-06 15:59:12 UTC

NP-MRD ID

NP0234126

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one

Description

12-Benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one 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 12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062217592D          

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M  END

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M  END


  Mrv1652309062217592D          

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    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   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
    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 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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    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
    3.5724   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    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
  8 10  2  0  0  0  0
 10 11  1  4  0  0  0
 11 12  1  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  4  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  4  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  4  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 35 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
  6 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0234126

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC1CC(O)=NC(CC2=CC=CC=C2)C(O)=NC(CC(C)C)C(O)=NC(C)C(O)=NC(CC(C)C)C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C32H50N4O6/c1-7-8-10-15-24-19-28(37)34-26(18-23-13-11-9-12-14-23)31(40)35-25(16-20(2)3)30(39)33-22(6)29(38)36-27(17-21(4)5)32(41)42-24/h9,11-14,20-22,24-27H,7-8,10,15-19H2,1-6H3,(H,33,39)(H,34,37)(H,35,40)(H,36,38)

> <INCHI_KEY>
HDDHDDSDLAXXTL-UHFFFAOYSA-N

> <FORMULA>
C32H50N4O6

> <MOLECULAR_WEIGHT>
586.774

> <EXACT_MASS>
586.373035346

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
64.64500017452173

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one

> <JCHEM_LOGP>
3.8730749268478526

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.698031928551978

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5910313659696245

> <JCHEM_PKA_STRONGEST_BASIC>
8.833398177845776

> <JCHEM_POLAR_SURFACE_AREA>
156.66

> <JCHEM_REFRACTIVITY>
161.54150000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.001  -3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       5.335  -3.080   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  -3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335  -1.540   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       6.668   0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002  -1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0       6.668  -6.930   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       9.336 -10.010   0.000  0.00  0.00           O+0
HETATM   29  N   UNK     0       6.668 -10.010   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   34  N   UNK     0       2.667  -9.240   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.334  -8.470   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.667 -10.780   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -0.000 -10.780   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       1.334  -5.390   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   42                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13                                                       
CONECT   19   11   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   22   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   35   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40    6                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₅₀N₄O₆

Average Mass

586.7740 Da

Monoisotopic Mass

586.37304 Da

IUPAC Name

12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one

Traditional Name

12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one

CAS Registry Number

Not Available

SMILES

CCCCCC1CC(O)=NC(CC2=CC=CC=C2)C(O)=NC(CC(C)C)C(O)=NC(C)C(O)=NC(CC(C)C)C(=O)O1

InChI Identifier

InChI=1S/C32H50N4O6/c1-7-8-10-15-24-19-28(37)34-26(18-23-13-11-9-12-14-23)31(40)35-25(16-20(2)3)30(39)33-22(6)29(38)36-27(17-21(4)5)32(41)42-24/h9,11-14,20-22,24-27H,7-8,10,15-19H2,1-6H3,(H,33,39)(H,34,37)(H,35,40)(H,36,38)

InChI Key

HDDHDDSDLAXXTL-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 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
Monocyclic benzene moiety
Benzenoid
Carboxamide group
Carboxylic acid ester
Lactam
Lactone
Secondary carboxylic acid amide
Carboxylic acid derivative
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organopnictogen compound
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
logP	3.87	ChemAxon
pKa (Strongest Acidic)	1.59	ChemAxon
pKa (Strongest Basic)	8.83	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	156.66 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	161.54 m³·mol⁻¹	ChemAxon
Polarizability	64.65 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

162948264

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one (NP0234126)

MOL for NP0234126 (12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one)

3D MOL for NP0234126 (12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one)

3D SDF for NP0234126 (12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one)

3D-SDF for NP0234126 (12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one)

PDB for NP0234126 (12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one)

3D PDB for NP0234126 (12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one)

SMILES for NP0234126 (12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one)

INCHI for NP0234126 (12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one)

Structure for NP0234126 (12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one)

3D Structure for NP0234126 (12-benzyl-5,8,11,14-tetrahydroxy-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-2-one)