NP-MRD: Showing NP-Card for (2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid (NP0266005)

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Record Information

Version

2.0

Created at

2022-09-08 10:11:57 UTC

Updated at

2022-09-08 10:11:57 UTC

NP-MRD ID

NP0266005

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid

Description

(2S)-3-{[(2R)-3-(3-chloro-4-methoxyphenyl)-2-{[(2E,5S,6S,7E)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Based on a literature review very few articles have been published on (2S)-3-{[(2R)-3-(3-chloro-4-methoxyphenyl)-2-{[(2E,5S,6S,7E)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082212112D          

 38 39  0  0  1  0            999 V2000
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013  -11.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 36 37  2  0  0  0  0
  3 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309082212112D          

 38 39  0  0  1  0            999 V2000
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    5.0013   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 Cl  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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  2  0  0  0  0
 10 11  1  4  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
  8 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
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
  6 36  1  0  0  0  0
 36 37  2  0  0  0  0
  3 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0266005

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C[C@@H](N=C(O)\C=C\C[C@H](O)[C@@H](C)\C=C\C2=CC=CC=C2)C(O)=NC[C@H](C)C(O)=O)C=C1Cl

> <INCHI_IDENTIFIER>
InChI=1S/C29H35ClN2O6/c1-19(12-13-21-8-5-4-6-9-21)25(33)10-7-11-27(34)32-24(28(35)31-18-20(2)29(36)37)17-22-14-15-26(38-3)23(30)16-22/h4-9,11-16,19-20,24-25,33H,10,17-18H2,1-3H3,(H,31,35)(H,32,34)(H,36,37)/b11-7+,13-12+/t19-,20-,24+,25-/m0/s1

> <INCHI_KEY>
OURPIRNGWYKWOO-JMTZPVHYSA-N

> <FORMULA>
C29H35ClN2O6

> <MOLECULAR_WEIGHT>
543.06

> <EXACT_MASS>
542.2183646

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
57.757551489580756

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-{[(2R)-3-(3-chloro-4-methoxyphenyl)-2-{[(2E,5S,6S,7E)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid

> <JCHEM_LOGP>
4.562691488449207

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.9841483433781795

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.0629542730166324

> <JCHEM_PKA_STRONGEST_BASIC>
4.712485137404841

> <JCHEM_POLAR_SURFACE_AREA>
131.94

> <JCHEM_REFRACTIVITY>
149.62780000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-3-{[(2R)-3-(3-chloro-4-methoxyphenyl)-2-{[(2E,5S,6S,7E)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.669 -12.320   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669 -16.940   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669 -18.480   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336 -19.250   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       9.336 -20.790   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       8.002 -21.560   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.668 -20.790   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.002 -23.100   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668 -23.870   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668 -25.410   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335 -26.180   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.001 -25.410   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.335 -27.720   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668 -28.490   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001 -28.490   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001 -30.030   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667 -30.800   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667 -32.340   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334 -33.110   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.000 -32.340   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.000 -30.800   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334 -30.030   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.002 -18.480   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.002 -16.940   0.000  0.00  0.00           O+0
HETATM   29  N   UNK     0       6.668 -19.250   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0       5.335 -18.480   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.001 -19.250   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.001 -20.790   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       5.335 -21.560   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       2.667 -21.560   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   38 Cl   UNK     0       8.002 -13.860   0.000  0.00  0.00          Cl+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   36                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   27                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   21                                                       
CONECT   27    8   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36    6   37                                                       
CONECT   37   36    3   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   78    0
END

View in JSmol

Synonyms

Value	Source
(2S)-3-{[(2R)-3-(3-chloro-4-methoxyphenyl)-2-{[(2E,5S,6S,7E)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoate	Generator

Chemical Formula

C₂₉H₃₅ClN₂O₆

Average Mass

543.0600 Da

Monoisotopic Mass

542.21836 Da

IUPAC Name

(2S)-3-{[(2R)-3-(3-chloro-4-methoxyphenyl)-2-{[(2E,5S,6S,7E)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid

Traditional Name

(2S)-3-{[(2R)-3-(3-chloro-4-methoxyphenyl)-2-{[(2E,5S,6S,7E)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C[C@@H](N=C(O)\C=C\C[C@H](O)[C@@H](C)\C=C\C2=CC=CC=C2)C(O)=NC[C@H](C)C(O)=O)C=C1Cl

InChI Identifier

InChI=1S/C29H35ClN2O6/c1-19(12-13-21-8-5-4-6-9-21)25(33)10-7-11-27(34)32-24(28(35)31-18-20(2)29(36)37)17-22-14-15-26(38-3)23(30)16-22/h4-9,11-16,19-20,24-25,33H,10,17-18H2,1-3H3,(H,31,35)(H,32,34)(H,36,37)/b11-7+,13-12+/t19-,20-,24+,25-/m0/s1

InChI Key

OURPIRNGWYKWOO-JMTZPVHYSA-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 hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Hybrid peptide
Amphetamine or derivatives
Phenoxy compound
Methoxybenzene
Styrene
Phenol ether
Anisole
Halobenzene
Chlorobenzene
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Aryl halide
Aryl chloride
Secondary alcohol
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Monocarboxylic acid or derivatives
Ether
Carboxylic acid
Carboxylic acid derivative
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Carbonyl group
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	4.56	ChemAxon
pKa (Strongest Acidic)	2.06	ChemAxon
pKa (Strongest Basic)	4.71	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	131.94 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	149.63 m³·mol⁻¹	ChemAxon
Polarizability	57.76 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

155802253

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid (NP0266005)

MOL for NP0266005 ((2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid)

3D MOL for NP0266005 ((2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid)

3D SDF for NP0266005 ((2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid)

3D-SDF for NP0266005 ((2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid)

PDB for NP0266005 ((2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid)

3D PDB for NP0266005 ((2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid)

SMILES for NP0266005 ((2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid)

INCHI for NP0266005 ((2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid)

Structure for NP0266005 ((2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid)

3D Structure for NP0266005 ((2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-2-{[(2e,5s,6s,7e)-1,5-dihydroxy-6-methyl-8-phenylocta-2,7-dien-1-ylidene]amino}-1-hydroxypropylidene]amino}-2-methylpropanoic acid)