NP-MRD: Showing NP-Card for 3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid (NP0318186)

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Record Information

Version

2.0

Created at

2022-09-11 18:32:14 UTC

Updated at

2022-09-11 18:32:14 UTC

NP-MRD ID

NP0318186

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid

Description

3-(2,3-Dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-[4-(N-hydroxyacetamido)butyl]butanimidic acid belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. Based on a literature review very few articles have been published on 3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-[4-(N-hydroxyacetamido)butyl]butanimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112220322D          

 43 45  0  0  0  0            999 V2000
   -1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309112220322D          

 43 45  0  0  0  0            999 V2000
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   -0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0413   -9.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058  -10.2749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3234   -9.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5165   -9.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9034  -10.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -5.7750    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 29  1  0  0  0  0
 29 30  1  0  0  0  0
 13 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 36 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0318186

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(OC(=O)C1=CC=CC(O)=C1O)C(N=C(O)C1N=C(OC1C)C1=CC=CC(O)=C1O)C(O)=NCCCCN(O)C(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H34N4O11/c1-14-22(31-27(42-14)17-8-6-10-19(34)23(17)36)26(39)30-21(25(38)29-12-4-5-13-32(41)16(3)33)15(2)43-28(40)18-9-7-11-20(35)24(18)37/h6-11,14-15,21-22,34-37,41H,4-5,12-13H2,1-3H3,(H,29,38)(H,30,39)

> <INCHI_KEY>
RUWXGLOMCAWQQD-UHFFFAOYSA-N

> <FORMULA>
C28H34N4O11

> <MOLECULAR_WEIGHT>
602.597

> <EXACT_MASS>
602.222407931

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
61.405302401250395

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-[4-(N-hydroxyacetamido)butyl]butanimidic acid

> <JCHEM_LOGP>
1.3357525793071143

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.0021545165271246

> <JCHEM_PKA_STRONGEST_ACIDIC>
-5.0684459749322786

> <JCHEM_PKA_STRONGEST_BASIC>
11.525742529662018

> <JCHEM_POLAR_SURFACE_AREA>
234.52999999999994

> <JCHEM_REFRACTIVITY>
151.02169999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-[4-(N-hydroxyacetamido)butyl]butanimidic 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      -2.667 -13.860   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334 -13.090   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.334 -11.550   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       0.000 -13.860   0.000  0.00  0.00           N+0
HETATM    5  O   UNK     0       0.000 -15.400   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.334 -13.090   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001 -13.090   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       6.668 -13.090   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.002 -15.400   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       9.336 -13.090   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      10.669 -13.860   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      10.669 -15.400   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.336 -16.170   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      13.410 -15.544   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      14.440 -16.688   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      15.972 -16.527   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.598 -15.120   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      18.130 -14.959   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      19.035 -16.205   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      18.409 -17.612   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      19.314 -18.858   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      16.877 -17.773   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      16.251 -19.180   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      13.670 -18.022   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      12.164 -17.702   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.020 -18.732   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.002 -10.780   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      10.669 -10.780   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       9.336  -8.470   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      12.003  -8.470   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.337  -6.160   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      14.670  -8.470   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      16.004  -9.240   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      13.337 -10.780   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   31                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   29                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   28                                                  
CONECT   20   19   21   26                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   20   27                                                  
CONECT   27   26                                                            
CONECT   28   19   29                                                       
CONECT   29   28   17   30                                                  
CONECT   30   29                                                            
CONECT   31   13   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   42                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   36   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   90    0
END

View in JSmol

Synonyms

Value	Source
3-(2,3-Dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-[4-(N-hydroxyacetamido)butyl]butanimidate	Generator

Chemical Formula

C₂₈H₃₄N₄O₁₁

Average Mass

602.5970 Da

Monoisotopic Mass

602.22241 Da

IUPAC Name

3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-[4-(N-hydroxyacetamido)butyl]butanimidic acid

Traditional Name

3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-N-[4-(N-hydroxyacetamido)butyl]butanimidic acid

CAS Registry Number

Not Available

SMILES

CC(OC(=O)C1=CC=CC(O)=C1O)C(N=C(O)C1N=C(OC1C)C1=CC=CC(O)=C1O)C(O)=NCCCCN(O)C(C)=O

InChI Identifier

InChI=1S/C28H34N4O11/c1-14-22(31-27(42-14)17-8-6-10-19(34)23(17)36)26(39)30-21(25(38)29-12-4-5-13-32(41)16(3)33)15(2)43-28(40)18-9-7-11-20(35)24(18)37/h6-11,14-15,21-22,34-37,41H,4-5,12-13H2,1-3H3,(H,29,38)(H,30,39)

InChI Key

RUWXGLOMCAWQQD-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 n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Substituents

N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
M-hydroxybenzoic acid ester
O-hydroxybenzoic acid ester
Salicylic acid or derivatives
Benzoate ester
Benzoic acid or derivatives
Benzoyl
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Fatty amide
Benzenoid
N-acyl-amine
Fatty acyl
Vinylogous acid
Oxazoline
Acetohydroxamic acid
Acetamide
Carboxamide group
Carboxylic acid ester
Hydroxamic acid
Secondary carboxylic acid amide
Organic 1,3-dipolar compound
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Azacycle
Oxacycle
Propargyl-type 1,3-dipolar organic compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organonitrogen compound
Organooxygen compound
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	1.34	ChemAxon
pKa (Strongest Acidic)	-5.1	ChemAxon
pKa (Strongest Basic)	11.53	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	234.53 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	151.02 m³·mol⁻¹	ChemAxon
Polarizability	61.41 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	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

163063040

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid (NP0318186)

MOL for NP0318186 (3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid)

3D MOL for NP0318186 (3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid)

3D SDF for NP0318186 (3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid)

3D-SDF for NP0318186 (3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid)

PDB for NP0318186 (3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid)

3D PDB for NP0318186 (3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid)

SMILES for NP0318186 (3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid)

INCHI for NP0318186 (3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid)

Structure for NP0318186 (3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid)

3D Structure for NP0318186 (3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-[4-(n-hydroxyacetamido)butyl]butanimidic acid)