NP-MRD: Showing NP-Card for 2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid (NP0145737)

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Record Information

Version

2.0

Created at

2022-09-02 00:59:29 UTC

Updated at

2022-09-02 00:59:29 UTC

NP-MRD ID

NP0145737

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid

Description

Pseudomonine 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. Pseudomonine is a very strong basic compound (based on its pKa). Outside of the human body, Pseudomonine has been detected, but not quantified in, fishes. 2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid is found in Pseudomonas fluorescens. This could make pseudomonine a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.5961   -0.3004    2.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3474   -0.4079    0.9295 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7050    0.8252    0.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    0.8844   -0.8500 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5318    2.1329   -1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9439    2.1871   -2.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8696    2.1613   -0.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3814    0.9901   -0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672    1.3367    0.5813 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    2.6750    0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3846    3.1711   -0.2739 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0114   -0.3899   -1.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550   -0.7915   -2.5134 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5337   -1.1093   -0.1287 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8927   -0.7606   -0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8652   -1.7662    0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5166   -2.9638    0.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2640   -1.4364    0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7742   -0.1609    0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1186    0.0795    0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0353   -0.9462    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5365   -2.2290    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1883   -2.4733    0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6974   -3.7846    0.1742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2946    0.3354    2.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2530    0.1670    2.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2722   -1.2989    2.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678   -1.0094    1.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895    2.1583   -2.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3190    2.9876   -0.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0512    3.1386   -2.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1636    1.3146   -2.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1755   -0.0300   -0.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6937    0.6721    1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7543    3.1936    1.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6847   -2.1864   -0.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1657    0.2295    0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0740    0.6620    0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4323    1.1247    0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1034   -0.7592    0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2540   -3.0634    0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3351   -4.5591    0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 23  2  0
 23 24  1  0
 23 22  1  0
 22 21  2  0
 21 20  1  0
 20 19  2  0
 14  2  1  0
 19 18  1  0
 11  7  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  1
  5 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 14 36  1  6
 15 37  1  0
 24 42  1  0
 22 41  1  0
 21 40  1  0
 20 39  1  0
 19 38  1  0
M  END


  Mrv0541 02241216312D          

 24 26  0  0  0  0            999 V2000
    0.5358    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366   -0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3616   -0.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571   -0.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6919    2.9302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9491    3.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4536    2.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9491    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6919    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3525    1.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2703    0.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267    0.4536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8669    0.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1964   -0.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010   -1.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1142   -1.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9392   -1.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3525   -2.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9392   -3.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1142   -3.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010   -2.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -2.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -1.1142    0.0000 N   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
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  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
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  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  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0145737

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1ON(CCC2=CNC=N2)C(=O)C1NC(=O)C1=C(O)C=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H18N4O4/c1-10-14(19-15(22)12-4-2-3-5-13(12)21)16(23)20(24-10)7-6-11-8-17-9-18-11/h2-5,8-10,14,21H,6-7H2,1H3,(H,17,18)(H,19,22)

> <INCHI_KEY>
XYEWTJQWOJBDBL-UHFFFAOYSA-N

> <FORMULA>
C16H18N4O4

> <MOLECULAR_WEIGHT>
330.3385

> <EXACT_MASS>
330.132805084

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
33.05635691698619

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-hydroxy-N-{2-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzamide

> <ALOGPS_LOGP>
1.08

> <JCHEM_LOGP>
0.8994441267196494

> <ALOGPS_LOGS>
-2.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.372917823643537

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.192083042767088

> <JCHEM_PKA_STRONGEST_BASIC>
6.538070901227551

> <JCHEM_POLAR_SURFACE_AREA>
107.55

> <JCHEM_REFRACTIVITY>
85.00410000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.64e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-N-{2-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       1.000   1.155   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.386   0.693   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.002  -0.693   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.542  -0.538   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -3.467  -1.772   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      -3.158   5.470   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -1.772   6.086   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -0.847   4.853   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -1.772   3.621   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.158   3.928   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.391   3.005   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.238   1.463   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -2.850   0.847   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0      -1.618   1.617   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       2.233  -0.847   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.309  -2.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.080  -3.467   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.620  -3.467   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.391  -4.700   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.620  -6.086   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.080  -6.086   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.309  -4.700   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -0.232  -4.853   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      -0.232  -2.080   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4   24                                                  
CONECT    4    3    5   13                                                  
CONECT    5    4                                                            
CONECT    6    7   10                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    6    9   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13    4   12   14                                                  
CONECT   14    2   13                                                       
CONECT   15   16                                                            
CONECT   16   15   17   24                                                  
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   17   21   23                                                  
CONECT   23   22                                                            
CONECT   24    3   16                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
2-Hydroxy-N-{2-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzene-1-carboximidate	Generator
Pseudomonine	MeSH

Chemical Formula

C₁₆H₁₈N₄O₄

Average Mass

330.3385 Da

Monoisotopic Mass

330.13281 Da

IUPAC Name

2-hydroxy-N-{2-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzamide

Traditional Name

2-hydroxy-N-{2-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzamide

CAS Registry Number

Not Available

SMILES

CC1ON(CCC2=CNC=N2)C(=O)C1NC(=O)C1=C(O)C=CC=C1

InChI Identifier

InChI=1S/C16H18N4O4/c1-10-14(19-15(22)12-4-2-3-5-13(12)21)16(23)20(24-10)7-6-11-8-17-9-18-11/h2-5,8-10,14,21H,6-7H2,1H3,(H,17,18)(H,19,22)

InChI Key

XYEWTJQWOJBDBL-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

Species Name	Source	Reference
Pseudomonas fluorescens	LOTUS Database	35616633

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
Salicylamide
Salicylic acid or derivatives
Benzamide
Benzoic acid or derivatives
Benzoyl
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Oxazolidinone
Benzenoid
Heteroaromatic compound
Azole
Vinylogous acid
Imidazole
Isoxazolidine
Carboxamide group
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Oxacycle
Organonitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organooxygen 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	1.08	ALOGPS
logP	0.9	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	8.19	ChemAxon
pKa (Strongest Basic)	6.54	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	107.55 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	85 m³·mol⁻¹	ChemAxon
Polarizability	33.06 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0041438

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB021389

KNApSAcK ID

Not Available

Chemspider ID

154353

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

177258

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid (NP0145737)

MOL for NP0145737 (2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid)

3D MOL for NP0145737 (2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid)

3D SDF for NP0145737 (2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid)

3D-SDF for NP0145737 (2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid)

PDB for NP0145737 (2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid)

3D PDB for NP0145737 (2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid)

SMILES for NP0145737 (2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid)

INCHI for NP0145737 (2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid)

Structure for NP0145737 (2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid)

3D Structure for NP0145737 (2-hydroxy-n-{2-[2-(3h-imidazol-4-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl}benzenecarboximidic acid)