NP-MRD: Showing NP-Card for 3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one (NP0197485)

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Record Information

Version

2.0

Created at

2022-09-04 15:45:44 UTC

Updated at

2022-09-04 15:45:44 UTC

NP-MRD ID

NP0197485

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one

Description

99694-93-6 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. 3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one is found in Ziziphus jujuba. Based on a literature review very few articles have been published on 99694-93-6.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042217452D          

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M  END

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M  END


  Mrv1652309042217452D          

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    8.1293   -0.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6286   -1.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9462   -1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8104   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9475   -0.6502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5139   -0.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2594   -0.4037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9834   -0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1537   -1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7535   -1.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3429   -1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9896   -2.1197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2088    0.2012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3906    0.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8900   -0.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0717   -0.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359    0.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4353   -0.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2548    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372    1.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4378    2.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2560    2.4854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7566    3.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4390    3.9026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0730    1.0683    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
  3  4  1  0  0  0  0
  3  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  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 16 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
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  2  0  0  0  0
 10 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  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  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 38 37  1  4  0  0  0
 38 39  2  0  0  0  0
  5 39  1  0  0  0  0
 39 40  1  0  0  0  0
 35 41  1  0  0  0  0
 29 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0197485

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1N=C(O)C2C(CCN2C(=O)C(C(C)C)N2CN(C)C(C)C2=O)OC2=CC=C(OC)C(C2)\C=C/N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H45N5O6/c1-8-18(4)24-27(36)31-13-11-20-15-21(9-10-22(20)40-7)41-23-12-14-34(26(23)28(37)32-24)30(39)25(17(2)3)35-16-33(6)19(5)29(35)38/h9-11,13,17-20,23-26H,8,12,14-16H2,1-7H3,(H,31,36)(H,32,37)/b13-11-

> <INCHI_KEY>
UXKBFRKXLIYCTE-QBFSEMIESA-N

> <FORMULA>
C30H45N5O6

> <MOLECULAR_WEIGHT>
571.719

> <EXACT_MASS>
571.336984189

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
60.97418641966815

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{1-[(13Z)-10-(butan-2-yl)-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0^{3,7}]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one

> <JCHEM_LOGP>
-3.162163933727425

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
-4.498617498258015

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.954049639158247

> <JCHEM_PKA_STRONGEST_BASIC>
15.000168223009592

> <JCHEM_POLAR_SURFACE_AREA>
127.50000000000003

> <JCHEM_REFRACTIVITY>
157.56350000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-{1-[(13Z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0^{3,7}]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      11.598   9.563   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.690   8.319   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.314   6.910   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.845   6.746   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.406   5.666   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      11.122   4.141   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      12.514   3.481   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      13.865   4.219   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      12.316   1.954   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.803   1.669   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.606   0.142   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.997  -0.517   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      13.054   0.602   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      14.582   0.405   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      15.516   1.629   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      15.175  -1.016   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.240  -2.240   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.833  -3.662   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.713  -2.043   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      16.702  -1.214   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      17.759  -0.094   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      19.151  -0.754   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      20.502  -0.015   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      18.954  -2.281   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      20.073  -3.338   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      17.440  -2.565   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      16.781  -3.957   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       9.723   0.376   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       8.196   0.573   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.261  -0.651   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.734  -0.454   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.141   0.967   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.614   1.164   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.679  -0.060   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.076   2.191   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.483   3.613   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.417   4.837   0.000  0.00  0.00           C+0
HETATM   38  N   UNK     0       7.944   4.639   0.000  0.00  0.00           N+0
HETATM   39  C   UNK     0       8.879   5.864   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       8.286   7.285   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       7.603   1.994   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   39                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   13                                                  
CONECT   10    9   11   28                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    9   14                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   20                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   16   21   26                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   20   27                                                  
CONECT   27   26                                                            
CONECT   28   10   29                                                       
CONECT   29   28   30   41                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32   36   41                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38    5   40                                                  
CONECT   40   39                                                            
CONECT   41   35   29                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₅N₅O₆

Average Mass

571.7190 Da

Monoisotopic Mass

571.33698 Da

IUPAC Name

3-{1-[(13Z)-10-(butan-2-yl)-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0^{3,7}]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one

Traditional Name

3-{1-[(13Z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0^{3,7}]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one

CAS Registry Number

Not Available

SMILES

CCC(C)C1N=C(O)C2C(CCN2C(=O)C(C(C)C)N2CN(C)C(C)C2=O)OC2=CC=C(OC)C(C2)\C=C/N=C1O

InChI Identifier

InChI=1S/C30H45N5O6/c1-8-18(4)24-27(36)31-13-11-20-15-21(9-10-22(20)40-7)41-23-12-14-34(26(23)28(37)32-24)30(39)25(17(2)3)35-16-33(6)19(5)29(35)38/h9-11,13,17-20,23-26H,8,12,14-16H2,1-7H3,(H,31,36)(H,32,37)/b13-11-

InChI Key

UXKBFRKXLIYCTE-QBFSEMIESA-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

Species Name	Source	Reference
Ziziphus jujuba	LOTUS Database	35616633

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
Valine or derivatives
Alpha-amino acid or derivatives
N-acylpyrrolidine
Imidazolidinone
Imidazolidine
Pyrrolidine
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Lactam
Carboxamide group
Organoheterocyclic compound
Azacycle
Oxacycle
Amine
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	-3.2	ChemAxon
pKa (Strongest Acidic)	-8	ChemAxon
pKa (Strongest Basic)	15	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	127.5 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	157.56 m³·mol⁻¹	ChemAxon
Polarizability	60.97 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

101419713

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one (NP0197485)

MOL for NP0197485 (3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one)

3D MOL for NP0197485 (3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one)

3D SDF for NP0197485 (3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one)

3D-SDF for NP0197485 (3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one)

PDB for NP0197485 (3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one)

3D PDB for NP0197485 (3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one)

SMILES for NP0197485 (3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one)

INCHI for NP0197485 (3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one)

Structure for NP0197485 (3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one)

3D Structure for NP0197485 (3-{1-[(13z)-8,11-dihydroxy-16-methoxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,16-pentaen-6-yl]-3-methyl-1-oxobutan-2-yl}-1,5-dimethylimidazolidin-4-one)