NP-MRD: Showing NP-Card for (2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid (NP0312455)

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Record Information

Version

2.0

Created at

2022-09-11 09:15:23 UTC

Updated at

2022-09-11 09:15:23 UTC

NP-MRD ID

NP0312455

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid

Description

Andrimid belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. (2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid is found in Pseudomonas fluorescens. (2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid was first documented in 2018 (PMID: 30500953). Based on a literature review a small amount of articles have been published on Andrimid (PMID: 33983855) (PMID: 33693627) (PMID: 33535752) (PMID: 33424823).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112211152D          

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M  END


  Mrv1652309112211152D          

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 27 29  1  0  0  0  0
 11 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 30 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0312455

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C\C=C\C=C\C(O)=N[C@@H](CC(O)=N[C@@H](C(C)C)C(=O)[C@H]1[C@H](C)C(O)=NC1=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H33N3O5/c1-5-6-7-8-12-15-21(31)28-20(19-13-10-9-11-14-19)16-22(32)29-24(17(2)3)25(33)23-18(4)26(34)30-27(23)35/h5-15,17-18,20,23-24H,16H2,1-4H3,(H,28,31)(H,29,32)(H,30,34,35)/b6-5+,8-7+,15-12+/t18-,20-,23+,24-/m0/s1

> <INCHI_KEY>
OHDXGZAYYBMHCY-QSUIEZAASA-N

> <FORMULA>
C27H33N3O5

> <MOLECULAR_WEIGHT>
479.577

> <EXACT_MASS>
479.242021175

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
51.706659278252815

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,4E,6E)-N-[(1S)-2-{[(2S)-1-[(3R,4S)-5-hydroxy-4-methyl-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-C-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid

> <JCHEM_LOGP>
4.584734162717794

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
5.000488243426645

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.244594989668009

> <JCHEM_PKA_STRONGEST_BASIC>
3.5888821318887496

> <JCHEM_POLAR_SURFACE_AREA>
131.91000000000003

> <JCHEM_REFRACTIVITY>
137.10090000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E,6E)-N-[(1S)-2-{[(2S)-1-[(3R,4S)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-C-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0     -10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001  -2.310   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      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       0.000  -3.080   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       5.335  -3.080   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.756  -5.525   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.292  -5.049   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0       7.232  -6.990   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       8.772  -6.990   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.677  -8.236   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       9.248  -5.525   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.713  -5.049   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   30                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   27                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   25                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   19   26                                                  
CONECT   26   25                                                            
CONECT   27   16   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   11   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   30                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₃N₃O₅

Average Mass

479.5770 Da

Monoisotopic Mass

479.24202 Da

IUPAC Name

(2E,4E,6E)-N-[(1S)-2-{[(2S)-1-[(3R,4S)-5-hydroxy-4-methyl-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-C-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid

Traditional Name

(2E,4E,6E)-N-[(1S)-2-{[(2S)-1-[(3R,4S)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-C-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid

CAS Registry Number

Not Available

SMILES

C\C=C\C=C\C=C\C(O)=N[C@@H](CC(O)=N[C@@H](C(C)C)C(=O)[C@H]1[C@H](C)C(O)=NC1=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C27H33N3O5/c1-5-6-7-8-12-15-21(31)28-20(19-13-10-9-11-14-19)16-22(32)29-24(17(2)3)25(33)23-18(4)26(34)30-27(23)35/h5-15,17-18,20,23-24H,16H2,1-4H3,(H,28,31)(H,29,32)(H,30,34,35)/b6-5+,8-7+,15-12+/t18-,20-,23+,24-/m0/s1

InChI Key

OHDXGZAYYBMHCY-QSUIEZAASA-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
Pseudomonas fluorescens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Substituents

Beta amino acid or derivatives
Monocyclic benzene moiety
Fatty amide
N-acyl-amine
Pyrrolidone
2-pyrrolidone
1,3-dicarbonyl compound
Benzenoid
Fatty acyl
Carboxylic acid imide
Dicarboximide
Pyrrolidine
Carboxylic acid imide, n-unsubstituted
Secondary carboxylic acid amide
Carboxamide group
Ketone
Lactam
Azacycle
Organoheterocyclic compound
Organooxygen compound
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organonitrogen compound
Organic nitrogen 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	4.58	ChemAxon
pKa (Strongest Acidic)	4.24	ChemAxon
pKa (Strongest Basic)	3.59	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	131.91 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	137.1 m³·mol⁻¹	ChemAxon
Polarizability	51.71 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

552562

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Andrimid

METLIN ID

Not Available

PubChem Compound

636857

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Toor HG, Banerjee DI, Chauhan JB: In Silico Evaluation of Human Cathelicidin LL-37 as a Novel Therapeutic Inhibitor of Panton-Valentine Leukocidin Toxin of Methicillin-Resistant Staphylococcus aureus. Microb Drug Resist. 2021 May;27(5):602-615. doi: 10.1089/mdr.2020.0196. Epub 2020 Oct 13. [PubMed:33983855 ]
Buijs Y, Zhang SD, Jorgensen KM, Isbrandt T, Larsen TO, Gram L: Enhancement of antibiotic production by co-cultivation of two antibiotic producing marine Vibrionaceae strains. FEMS Microbiol Ecol. 2021 Mar 31;97(4):fiab041. doi: 10.1093/femsec/fiab041. [PubMed:33693627 ]
Messiha HL, Payne KAP, Scrutton NS, Leys D: A Biological Route to Conjugated Alkenes: Microbial Production of Hepta-1,3,5-triene. ACS Synth Biol. 2021 Feb 19;10(2):228-235. doi: 10.1021/acssynbio.0c00464. Epub 2021 Feb 3. [PubMed:33535752 ]
Buijs Y, Isbrandt T, Zhang SD, Larsen TO, Gram L: The Antibiotic Andrimid Produced by Vibrio coralliilyticus Increases Expression of Biosynthetic Gene Clusters and Antibiotic Production in Photobacterium galatheae. Front Microbiol. 2020 Dec 22;11:622055. doi: 10.3389/fmicb.2020.622055. eCollection 2020. [PubMed:33424823 ]
Matilla MA, Daddaoua A, Chini A, Morel B, Krell T: An auxin controls bacterial antibiotics production. Nucleic Acids Res. 2018 Nov 30;46(21):11229-11238. doi: 10.1093/nar/gky766. [PubMed:30500953 ]
LOTUS database [Link]

Showing NP-Card for (2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid (NP0312455)

MOL for NP0312455 ((2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid)

3D MOL for NP0312455 ((2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid)

3D SDF for NP0312455 ((2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid)

3D-SDF for NP0312455 ((2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid)

PDB for NP0312455 ((2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid)

3D PDB for NP0312455 ((2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid)

SMILES for NP0312455 ((2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid)

INCHI for NP0312455 ((2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid)

Structure for NP0312455 ((2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid)

3D Structure for NP0312455 ((2e,4e,6e)-n-[(1s)-2-{[(2s)-1-[(3r,4s)-5-hydroxy-4-methyl-2-oxo-3,4-dihydropyrrol-3-yl]-3-methyl-1-oxobutan-2-yl]-c-hydroxycarbonimidoyl}-1-phenylethyl]octa-2,4,6-trienimidic acid)