NP-MRD: Showing NP-Card for (2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid (NP0284890)

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Record Information

Version

2.0

Created at

2022-09-09 12:48:41 UTC

Updated at

2022-09-09 12:48:41 UTC

NP-MRD ID

NP0284890

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid

Description

(2E,4E,6E,8E)-9-[(2R,3R)-3-[(2S,3R,4E,6S)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-N-[(2S)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. (2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid is found in Myxococcus stipitatus. Based on a literature review very few articles have been published on (2E,4E,6E,8E)-9-[(2R,3R)-3-[(2S,3R,4E,6S)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-N-[(2S)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092214482D          

 37 38  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309092214482D          

 37 38  0  0  1  0            999 V2000
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    1.4289   -7.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9602   -2.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8170   -1.5515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7355   -2.6462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3675   -2.1159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2242   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1427   -2.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7747   -1.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  4  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0284890

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H](CCC1=CC=CC=C1)\C=C(/C)[C@H](O)[C@H](C)[C@H]1O[C@]1(C)\C=C\C=C\C=C\C=C(/C)C(O)=N[C@@H](C)CO

> <INCHI_IDENTIFIER>
InChI=1S/C32H45NO4/c1-23(18-19-28-16-12-10-13-17-28)21-25(3)29(35)27(5)30-32(6,37-30)20-14-9-7-8-11-15-24(2)31(36)33-26(4)22-34/h7-17,20-21,23,26-27,29-30,34-35H,18-19,22H2,1-6H3,(H,33,36)/b9-7+,11-8+,20-14+,24-15+,25-21+/t23-,26-,27-,29-,30+,32+/m0/s1

> <INCHI_KEY>
NSDCZUSAJCYTGH-TUYPCJHHSA-N

> <FORMULA>
C32H45NO4

> <MOLECULAR_WEIGHT>
507.715

> <EXACT_MASS>
507.334858933

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
61.25049959309125

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,4E,6E,8E)-9-{3-[(2S,3R,4E,6S)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl}-N-[(2S)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid

> <JCHEM_LOGP>
6.475255110333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.22667462549797

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.535793467771464

> <JCHEM_PKA_STRONGEST_BASIC>
4.379881296920401

> <JCHEM_POLAR_SURFACE_AREA>
85.58000000000001

> <JCHEM_REFRACTIVITY>
157.57410000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E,6E,8E)-9-{3-[(2S,3R,4E,6S)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl}-N-[(2S)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      19.547  -6.919   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      19.279  -5.403   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.832  -4.876   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      16.653  -5.866   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      15.205  -5.339   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.026  -6.329   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.579  -5.802   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.399  -6.792   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.952  -6.266   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.772  -7.255   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.592  -6.266   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       9.542  -8.589   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       8.002  -8.589   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -9.359   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -8.589   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668 -10.899   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       8.002 -11.669   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.335 -11.669   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335 -13.209   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001 -10.899   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667 -11.669   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667 -13.209   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334 -10.899   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000 -11.669   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.334 -10.899   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.667 -11.669   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.001 -10.899   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.001  -9.359   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.667  -8.589   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.334  -9.359   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      20.459  -4.413   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      20.192  -2.896   0.000  0.00  0.00           O+0
HETATM   33  N   UNK     0      21.906  -4.940   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      23.086  -3.950   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      22.819  -2.433   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      24.533  -4.476   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      25.713  -3.486   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   10   14                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   25                                                       
CONECT   31    2   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   76    0
END

View in JSmol

Synonyms

Value	Source
(2E,4E,6E,8E)-9-[(2R,3R)-3-[(2S,3R,4E,6S)-3-Hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-N-[(2S)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidate	Generator

Chemical Formula

C₃₂H₄₅NO₄

Average Mass

507.7150 Da

Monoisotopic Mass

507.33486 Da

IUPAC Name

(2E,4E,6E,8E)-9-{3-[(2S,3R,4E,6S)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl}-N-[(2S)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid

Traditional Name

(2E,4E,6E,8E)-9-{3-[(2S,3R,4E,6S)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl}-N-[(2S)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid

CAS Registry Number

Not Available

SMILES

C[C@@H](CCC1=CC=CC=C1)\C=C(/C)[C@H](O)[C@H](C)[C@H]1O[C@]1(C)\C=C\C=C\C=C\C=C(/C)C(O)=N[C@@H](C)CO

InChI Identifier

InChI=1S/C32H45NO4/c1-23(18-19-28-16-12-10-13-17-28)21-25(3)29(35)27(5)30-32(6,37-30)20-14-9-7-8-11-15-24(2)31(36)33-26(4)22-34/h7-17,20-21,23,26-27,29-30,34-35H,18-19,22H2,1-6H3,(H,33,36)/b9-7+,11-8+,20-14+,24-15+,25-21+/t23-,26-,27-,29-,30+,32+/m0/s1

InChI Key

NSDCZUSAJCYTGH-TUYPCJHHSA-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
Myxococcus stipitatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Not Available

Direct Parent

Benzene and substituted derivatives

Alternative Parents

Substituents

Monocyclic benzene moiety
Secondary alcohol
Carboximidic acid
Carboximidic acid derivative
Dialkyl ether
Oxirane
Ether
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organoheterocyclic compound
Oxacycle
Organooxygen compound
Primary alcohol
Organic oxygen compound
Organic nitrogen compound
Alcohol
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
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	6.48	ChemAxon
pKa (Strongest Acidic)	6.54	ChemAxon
pKa (Strongest Basic)	4.38	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	85.58 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	157.57 m³·mol⁻¹	ChemAxon
Polarizability	61.25 Å³	ChemAxon
Number of Rings	2	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

163188302

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid (NP0284890)

MOL for NP0284890 ((2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid)

3D MOL for NP0284890 ((2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid)

3D SDF for NP0284890 ((2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid)

3D-SDF for NP0284890 ((2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid)

PDB for NP0284890 ((2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid)

3D PDB for NP0284890 ((2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid)

SMILES for NP0284890 ((2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid)

INCHI for NP0284890 ((2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid)

Structure for NP0284890 ((2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid)

3D Structure for NP0284890 ((2e,4e,6e,8e)-9-[(2r,3r)-3-[(2s,3r,4e,6s)-3-hydroxy-4,6-dimethyl-8-phenyloct-4-en-2-yl]-2-methyloxiran-2-yl]-n-[(2s)-1-hydroxypropan-2-yl]-2-methylnona-2,4,6,8-tetraenimidic acid)