NP-MRD: Showing NP-Card for 6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one (NP0310617)

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Record Information

Version

2.0

Created at

2022-09-11 06:03:46 UTC

Updated at

2022-09-11 06:03:46 UTC

NP-MRD ID

NP0310617

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one

Description

6-Benzyl-5,8,11,14-tetrahydroxy-3,9,15-tris(2-methylpropyl)-12-(propan-2-yl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-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. 6-Benzyl-5,8,11,14-tetrahydroxy-3,9,15-tris(2-methylpropyl)-12-(propan-2-yl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171508592D          

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M  END

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M  END


  Mrv1533004171508592D          

 42 43  0  0  0  0            999 V2000
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    2.3822    7.4337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617    7.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0768    8.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262    6.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4057    6.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8997    7.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2563    7.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111    5.9263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5396    5.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7550    4.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1527    4.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9812    3.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    3.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    2.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834    4.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    4.8223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6518    4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6518    3.5848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662    4.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807    4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807    3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7952    3.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7952    2.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807    1.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662    2.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662    3.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662    5.6473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9793    6.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7640    5.9444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316    8.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111    8.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0165    9.5222    0.0000 C   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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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
 11 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
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 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
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 29 37  1  0  0  0  0
 37 38  1  0  0  0  0
  5 38  1  0  0  0  0
 38 39  2  0  0  0  0
  9 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0310617

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CC1NC(=O)C(NC(=O)C(CC(C)C)OC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC1=O)C(C)C

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

> <INCHI_KEY>
YIRQWXGQCMAHIW-UHFFFAOYSA-N

> <FORMULA>
C32H50N4O6

> <MOLECULAR_WEIGHT>
586.774

> <EXACT_MASS>
586.373035346

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
64.51472205546182

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-benzyl-3,9,15-tris(2-methylpropyl)-12-(propan-2-yl)-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone

> <ALOGPS_LOGP>
3.07

> <JCHEM_LOGP>
4.352717675333332

> <ALOGPS_LOGS>
-4.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.118429015322198

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.675650140504073

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2647676098609106

> <JCHEM_POLAR_SURFACE_AREA>
142.7

> <JCHEM_REFRACTIVITY>
159.17260000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.31e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-benzyl-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      11.904  12.127   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.584  13.633   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.728  14.663   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.119  14.109   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.975  13.078   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       7.510  13.554   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       6.884  14.961   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       7.789  16.207   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.352  15.122   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       4.447  13.876   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       2.915  13.715   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.010  14.961   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.289  12.308   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.757  12.147   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.148  13.393   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.679  13.232   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.479  14.800   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.194  11.062   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.874   9.556   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.409   9.080   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.018   8.526   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.698   7.019   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.234   6.543   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.913   5.037   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.089   7.574   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       5.483   9.002   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       6.817   8.232   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.817   6.692   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       8.150   9.002   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.484   8.232   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.484   6.692   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.818   5.922   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.818   4.382   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.484   3.612   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.150   4.382   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.150   5.922   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0       8.150  10.542   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0       9.295  11.572   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      10.759  11.096   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.726  16.529   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.194  16.690   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.631  17.775   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   38                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   40                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   21   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   37                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   31                                                       
CONECT   37   29   38                                                       
CONECT   38   37    5   39                                                  
CONECT   39   38                                                            
CONECT   40    9   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
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

6-benzyl-3,9,15-tris(2-methylpropyl)-12-(propan-2-yl)-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone

Traditional Name

6-benzyl-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone

CAS Registry Number

Not Available

SMILES

CC(C)CC1NC(=O)C(NC(=O)C(CC(C)C)OC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC1=O)C(C)C

InChI Identifier

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

InChI Key

YIRQWXGQCMAHIW-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
Alpha-amino acid ester
Macrolactam
Macrolide
Alpha-amino acid or derivatives
Monocyclic benzene moiety
Benzenoid
Cyclic carboximidic acid
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic oxygen compound
Organopnictogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Organic oxide
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	3.07	ALOGPS
logP	4.35	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	10.68	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	142.7 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	159.17 m³·mol⁻¹	ChemAxon
Polarizability	64.51 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

73836708

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one (NP0310617)

MOL for NP0310617 (6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one)

3D MOL for NP0310617 (6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one)

3D SDF for NP0310617 (6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one)

3D-SDF for NP0310617 (6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one)

PDB for NP0310617 (6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one)

3D PDB for NP0310617 (6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one)

SMILES for NP0310617 (6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one)

INCHI for NP0310617 (6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one)

Structure for NP0310617 (6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one)

3D Structure for NP0310617 (6-benzyl-5,8,11,14-tetrahydroxy-12-isopropyl-3,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetraazacyclopentadeca-4,7,10,13-tetraen-2-one)