NP-MRD: Showing NP-Card for 1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide (NP0330512)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-12 15:56:22 UTC

Updated at

2022-09-12 15:56:22 UTC

NP-MRD ID

NP0330512

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide

Description

1-[(1-Carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-N-methoxymethanimine oxide belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. 1-[(1-Carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-N-methoxymethanimine oxide is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 41  0  0  0  0  0  0  0  0999 V2000
   -0.8263    2.5723    1.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0100    2.4365    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8669    1.3363   -0.3425 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2603    1.6496    0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8168    0.8543    0.9386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9497    2.7847   -0.2378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5635   -0.0559   -0.0151 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4894   -0.3721    1.3338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5556   -0.7844   -0.8667 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7813   -0.5055   -0.4029 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8095   -1.3237    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6252   -2.5801    0.0827 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1442   -0.9275    0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6135    0.2611    0.5083 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.9378    1.3816    0.1688 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.9250    0.4217    0.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2241    1.2109    2.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8578   -2.2731   -0.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2731   -2.5355   -1.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -2.8129   -2.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7765    2.5434    2.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4109    3.6066    1.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0610    1.8837    1.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5710    3.3991   -0.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380    2.5859   -0.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9803    1.4231   -1.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5126    2.7067   -1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5579   -0.5967   -0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864   -1.3003    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6020   -0.4891   -1.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237    0.5484   -0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -1.7362    0.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3548    1.8416    2.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5079    0.5649    2.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1043    1.8687    1.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6559   -2.7519    0.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3421   -3.4805   -1.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9491   -2.6803   -0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6880   -1.7424   -2.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945   -3.8359   -1.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -2.1999   -2.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7066   -2.8973   -2.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  9 18  1  0
 18 19  1  0
 18 20  1  0
  3  4  1  0
  4  6  1  0
  4  5  2  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  6
  7 28  1  6
  8 29  1  0
  9 30  1  6
 10 31  1  0
 13 32  1  0
 17 33  1  0
 17 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  0
 19 38  1  0
 19 39  1  0
 20 40  1  0
 20 41  1  0
 20 42  1  0
  6 27  1  0
M  CHG  2  14   1  15  -1
M  END


  Mrv1533004191514192D          

 20 19  0  0  0  0            999 V2000
    4.5375   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7987   -1.3229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.1434    0.0000 O   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  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  2  0  0  0  0
 10  8  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
 13 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  3 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  2  11   1  12  -1
M  END
> <DATABASE_ID>
NP0330512

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C(O)C(NC(=O)C=[N+]([O-])OC)C(C)C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22N2O6/c1-5-8(12(17)18)11(16)10(7(2)3)13-9(15)6-14(19)20-4/h6-8,10-11,16H,5H2,1-4H3,(H,13,15)(H,17,18)

> <INCHI_KEY>
KQZPUTFJOHDSFS-UHFFFAOYSA-N

> <FORMULA>
C12H22N2O6

> <MOLECULAR_WEIGHT>
290.316

> <EXACT_MASS>
290.147786436

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
28.873189952707357

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-N-methoxymethanimine oxide

> <ALOGPS_LOGP>
-0.19

> <JCHEM_LOGP>
-2.371855312138412

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.415771985033724

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6624498196976107

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2070492817913463

> <JCHEM_POLAR_SURFACE_AREA>
121.92999999999999

> <JCHEM_REFRACTIVITY>
79.71709999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.62e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-N-methoxymethanimine oxide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       8.470  -6.668   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.930  -6.668   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.160  -5.335   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.620  -5.335   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.850  -6.668   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.850  -4.001   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       2.310  -4.001   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       1.540  -2.667   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.310  -1.334   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.000  -2.667   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -0.770  -1.334   0.000  0.00  0.00           N+1
HETATM   12  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O-1
HETATM   13  O   UNK     0      -2.310  -1.334   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -3.080  -2.667   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.620  -2.667   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.850  -1.334   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.160  -2.667   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.930  -4.001   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       7.091  -2.469   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.470  -4.001   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   18                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   15                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13                                                            
CONECT   15    6   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18    3   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₂H₂₂N₂O₆

Average Mass

290.3160 Da

Monoisotopic Mass

290.14779 Da

IUPAC Name

1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-N-methoxymethanimine oxide

Traditional Name

1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-N-methoxymethanimine oxide

CAS Registry Number

Not Available

SMILES

CCC(C(O)C(NC(=O)C=[N+]([O-])OC)C(C)C)C(O)=O

InChI Identifier

InChI=1S/C12H22N2O6/c1-5-8(12(17)18)11(16)10(7(2)3)13-9(15)6-14(19)20-4/h6-8,10-11,16H,5H2,1-4H3,(H,13,15)(H,17,18)

InChI Key

KQZPUTFJOHDSFS-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 gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma 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

Gamma amino acids and derivatives

Alternative Parents

Substituents

Gamma amino acid or derivatives
Alpha-imino acid or derivatives
Medium-chain hydroxy acid
Medium-chain fatty acid
Amino fatty acid
Beta-hydroxy acid
Branched fatty acid
Hydroxy fatty acid
Fatty acyl
Fatty acid
Hydroxy acid
Carboxamide group
Secondary alcohol
Secondary carboxylic acid amide
Organic 1,3-dipolar compound
Monocarboxylic acid or derivatives
Carboxylic acid
Allyl-type 1,3-dipolar organic compound
Alcohol
Organonitrogen compound
Organooxygen compound
Organic zwitterion
Organic salt
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	-0.19	ALOGPS
logP	-2.4	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	3.66	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	121.93 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	79.72 m³·mol⁻¹	ChemAxon
Polarizability	28.87 Å³	ChemAxon
Number of Rings	0	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

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

128407

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide (NP0330512)

MOL for NP0330512 (1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide)

3D MOL for NP0330512 (1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide)

3D SDF for NP0330512 (1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide)

3D-SDF for NP0330512 (1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide)

PDB for NP0330512 (1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide)

3D PDB for NP0330512 (1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide)

SMILES for NP0330512 (1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide)

INCHI for NP0330512 (1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide)

Structure for NP0330512 (1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide)

3D Structure for NP0330512 (1-[(1-carboxy-1-ethyl-2-hydroxy-4-methylpentan-3-yl)carbamoyl]-n-methoxymethanimine oxide)