NP-MRD: Showing NP-Card for methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate (NP0155049)

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Record Information

Version

2.0

Created at

2022-09-02 12:03:00 UTC

Updated at

2022-09-02 12:03:00 UTC

NP-MRD ID

NP0155049

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate

Description

Methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate 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. methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate is found in Phoma herbarum. Based on a literature review very few articles have been published on methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 43  0  0  0  0  0  0  0  0999 V2000
    1.2422    4.8900    0.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2600    3.5308    0.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0887    2.8529    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978    3.3916    0.4204 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889    1.3775   -0.2686 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3685    1.0155   -0.2648 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7627   -0.2730   -0.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9049   -1.1039   -0.9899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549   -0.6392   -0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9943    0.2304   -0.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6271   -2.0003   -1.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456   -3.0765   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1316   -2.0470   -0.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5633    1.3062   -1.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6878    1.9647   -1.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.6449    0.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0744    0.7408    2.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8235   -0.2183    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4026   -0.5688    2.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4443   -1.4493    2.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9946   -2.0527    1.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0505   -2.9475    1.1663 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288   -1.7127   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648   -0.8160   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3888    5.1042    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    5.0997    1.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    5.4936   -0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238    1.7486    0.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3549   -2.2346   -2.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0206   -2.7405    0.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0004   -3.2924   -0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6331   -4.0005   -0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4895   -1.2532   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4366   -3.0558   -0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5665   -1.8664   -1.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034    3.0765   -1.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6519    1.6413   -1.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7951    1.7901   -2.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049   -0.1178    2.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8845   -1.7114    3.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8165   -3.9463    1.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8132   -2.1499   -1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9505   -0.6253   -1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
  5 14  1  6
 14 15  1  0
  5 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  6 28  1  0
 11 29  1  0
 12 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
 15 36  1  0
 15 37  1  0
 15 38  1  0
 19 39  1  0
 20 40  1  0
 22 41  1  0
 23 42  1  0
 24 43  1  0
M  END


  Mrv1652309022214032D          

 24 24  0  0  0  0            999 V2000
    1.6500    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.3316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 18 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0155049

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C(NC(=O)C(=O)C(C)C)(OC)C(=O)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H19NO7/c1-9(2)12(19)14(21)17-16(24-4,15(22)23-3)13(20)10-5-7-11(18)8-6-10/h5-9,18H,1-4H3,(H,17,21)

> <INCHI_KEY>
IDXJRCWPTXBTKD-UHFFFAOYSA-N

> <FORMULA>
C16H19NO7

> <MOLECULAR_WEIGHT>
337.328

> <EXACT_MASS>
337.116151956

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
32.46512955399523

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate

> <ALOGPS_LOGP>
1.66

> <JCHEM_LOGP>
2.400630333333334

> <ALOGPS_LOGS>
-3.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.89976480049891

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.5829281117377825

> <JCHEM_PKA_STRONGEST_BASIC>
-4.223743649630384

> <JCHEM_POLAR_SURFACE_AREA>
119.00000000000001

> <JCHEM_REFRACTIVITY>
82.83540000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       3.080   7.287   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.310   5.954   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.770   5.954   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.000   7.287   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -0.770   3.286   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -2.310   3.286   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -3.080   4.620   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -3.080   1.953   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.310   0.619   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -4.620   1.953   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.390   0.619   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.390   3.286   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.334   5.390   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   14   16                                             
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    5   15                                                       
CONECT   15   14                                                            
CONECT   16    5   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   24                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   18                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Value	Source
Methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoic acid	Generator

Chemical Formula

C₁₆H₁₉NO₇

Average Mass

337.3280 Da

Monoisotopic Mass

337.11615 Da

IUPAC Name

methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate

Traditional Name

methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate

CAS Registry Number

Not Available

SMILES

COC(=O)C(NC(=O)C(=O)C(C)C)(OC)C(=O)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C16H19NO7/c1-9(2)12(19)14(21)17-16(24-4,15(22)23-3)13(20)10-5-7-11(18)8-6-10/h5-9,18H,1-4H3,(H,17,21)

InChI Key

IDXJRCWPTXBTKD-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
Phoma herbarum	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

Alkyl-phenylketone
N-acyl-alpha amino acid or derivatives
Phenylketone
Aryl alkyl ketone
Aryl ketone
Benzoyl
1-hydroxy-2-unsubstituted benzenoid
Phenol
Fatty acid ester
Beta-keto acid
Fatty acyl
Benzenoid
N-acyl-amine
Keto acid
Fatty amide
Monocyclic benzene moiety
Methyl ester
Secondary carboxylic acid amide
Ketone
Carboxylic acid ester
Carboxamide group
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
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	1.66	ALOGPS
logP	2.4	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	7.58	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	119 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	82.84 m³·mol⁻¹	ChemAxon
Polarizability	32.47 Å³	ChemAxon
Number of Rings	1	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

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

162903032

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate (NP0155049)

MOL for NP0155049 (methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate)

3D MOL for NP0155049 (methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate)

3D SDF for NP0155049 (methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate)

3D-SDF for NP0155049 (methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate)

PDB for NP0155049 (methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate)

3D PDB for NP0155049 (methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate)

SMILES for NP0155049 (methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate)

INCHI for NP0155049 (methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate)

Structure for NP0155049 (methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate)

3D Structure for NP0155049 (methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate)