NP-MRD: Showing NP-Card for methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate (NP0228672)

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Record Information

Version

2.0

Created at

2022-09-06 08:24:45 UTC

Updated at

2022-09-06 08:24:45 UTC

NP-MRD ID

NP0228672

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate

Description

Methyl (2S)-1-[(2S,8E)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate is found in Penicillium citrinum. Based on a literature review very few articles have been published on methyl (2S)-1-[(2S,8E)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 49  0  0  0  0  0  0  0  0999 V2000
    3.3665    3.1326    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4352    1.7896   -0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    0.9954   -0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842   -0.3188   -1.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060   -1.3859   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4684   -1.3334    0.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1185   -1.5399    0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0769   -1.4681    1.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253   -1.2567    2.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -1.6275    1.0866 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6799   -2.9742    0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8767   -0.5263    0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356    0.2678   -0.2732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -0.3921    0.0264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3006   -1.2159    0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0714   -1.5331   -0.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1516   -0.1210   -1.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073    0.6054   -0.7889 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2912    1.7683    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0591    1.8132    1.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9318    2.8694   -0.5041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2905    3.9684    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4577    3.1650    0.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437    3.2867    0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116    3.9087   -0.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752    1.5123   -1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3244    1.2813    0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   -0.4663   -1.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3479   -0.3608   -1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6346   -2.3735   -0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5427   -1.2866    0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4264   -0.3570    1.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -2.1295    1.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0950   -2.5359   -0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300   -0.8031   -0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270   -1.6090    2.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3487   -2.9130   -0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3025   -3.4374    0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1445   -3.6160    1.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0250   -0.5949    1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9855   -2.1085    1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4128   -2.1335   -1.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0576   -1.9530   -0.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1654   -0.1355   -2.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0460    0.3397   -0.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2773    0.9563   -1.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1963    3.7528    0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5406    4.8398   -0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4673    4.2535    0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 21  1  0
 21 19  1  0
 19 20  2  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 12  1  0
 12 13  2  0
 12 10  1  0
 10 11  1  0
 10  8  1  0
  8  9  2  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
 14 18  1  0
 22 47  1  0
 22 48  1  0
 22 49  1  0
 18 46  1  6
 17 44  1  0
 17 45  1  0
 16 42  1  0
 16 43  1  0
 15 40  1  0
 15 41  1  0
 10 36  1  1
 11 37  1  0
 11 38  1  0
 11 39  1  0
  7 34  1  0
  7 35  1  0
  6 32  1  0
  6 33  1  0
  5 30  1  0
  5 31  1  0
  4 28  1  0
  4 29  1  0
  3 27  1  0
  2 26  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
M  END


  Mrv1652309062210242D          

 22 22  0  0  1  0            999 V2000
   -1.2807   -3.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -3.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -4.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8628   -4.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5772   -5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -4.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062   -5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062   -6.0577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7206   -4.8202    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7206   -3.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4351   -5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4351   -6.0577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1496   -4.8202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2358   -3.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0428   -3.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4553   -4.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9033   -5.1558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0748   -5.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4617   -6.5148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8594   -6.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4725   -5.6656    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0228672

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)C(=O)CCCC\C=C\C

> <INCHI_IDENTIFIER>
InChI=1S/C17H27NO4/c1-4-5-6-7-8-11-15(19)13(2)16(20)18-12-9-10-14(18)17(21)22-3/h4-5,13-14H,6-12H2,1-3H3/b5-4+/t13-,14-/m0/s1

> <INCHI_KEY>
DOXJLUOLFLRQHW-CTXXGXLOSA-N

> <FORMULA>
C17H27NO4

> <MOLECULAR_WEIGHT>
309.406

> <EXACT_MASS>
309.194008353

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
34.88100156241162

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl (2S)-1-[(8E)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate

> <JCHEM_LOGP>
2.9849926843333345

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.098597498564907

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6140870644453247

> <JCHEM_POLAR_SURFACE_AREA>
63.68000000000001

> <JCHEM_REFRACTIVITY>
85.61749999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl (2S)-1-[(8E)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.391  -6.688   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.057  -7.458   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.057  -8.998   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.277  -9.768   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.610  -8.998   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.944  -9.768   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.278  -8.998   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.612  -9.768   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.612 -11.308   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.945  -8.998   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.945  -7.458   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.279  -9.768   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.279 -11.308   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       9.613  -8.998   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       9.774  -7.466   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.280  -7.146   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.050  -8.480   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.019  -9.624   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.340 -11.130   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      10.195 -12.161   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      12.804 -11.606   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      13.949 -10.576   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   14   19                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Value	Source
Methyl (2S)-1-[(2S,8E)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylic acid	Generator

Chemical Formula

C₁₇H₂₇NO₄

Average Mass

309.4060 Da

Monoisotopic Mass

309.19401 Da

IUPAC Name

methyl (2S)-1-[(8E)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate

Traditional Name

methyl (2S)-1-[(8E)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)C(=O)CCCC\C=C\C

InChI Identifier

InChI=1S/C17H27NO4/c1-4-5-6-7-8-11-15(19)13(2)16(20)18-12-9-10-14(18)17(21)22-3/h4-5,13-14H,6-12H2,1-3H3/b5-4+/t13-,14-/m0/s1

InChI Key

DOXJLUOLFLRQHW-CTXXGXLOSA-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
Penicillium citrinum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid 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

Alternative Parents

Substituents

Alpha-amino acid ester
Proline or derivatives
N-acyl-alpha-amino acid
N-acylpyrrolidine
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
1,3-dicarbonyl compound
Methyl ester
Tertiary carboxylic acid amide
Pyrrolidine
Carboxamide group
Carboxylic acid ester
Ketone
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	2.98	ChemAxon
pKa (Strongest Acidic)	12.1	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	63.68 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	85.62 m³·mol⁻¹	ChemAxon
Polarizability	34.88 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

29212596

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163058485

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate (NP0228672)

MOL for NP0228672 (methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate)

3D MOL for NP0228672 (methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate)

3D SDF for NP0228672 (methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate)

3D-SDF for NP0228672 (methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate)

PDB for NP0228672 (methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate)

3D PDB for NP0228672 (methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate)

SMILES for NP0228672 (methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate)

INCHI for NP0228672 (methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate)

Structure for NP0228672 (methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate)

3D Structure for NP0228672 (methyl (2s)-1-[(2s,8e)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate)