NP-MRD: Showing NP-Card for (2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid (NP0184835)

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Record Information

Version

1.0

Created at

2022-09-04 00:03:56 UTC

Updated at

2022-09-04 00:03:56 UTC

NP-MRD ID

NP0184835

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid

Description

(2S,4E)-4-{2-[(2S)-2-carboxypyrrolidin-1-yl]ethylidene}-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. (2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid is found in Hylocereus ocamponis. Based on a literature review very few articles have been published on (2S,4E)-4-{2-[(2S)-2-carboxypyrrolidin-1-yl]ethylidene}-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 41  0  0  0  0  0  0  0  0999 V2000
    4.4481   -3.3731   -0.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6742   -2.1452   -0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -1.6804   -0.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563   -1.2028   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048   -1.6235   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2305   -0.6441    0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0274   -1.0491    0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1332   -0.1193    0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1908   -0.5296   -0.3257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7898   -1.7910    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9814   -1.3988    0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9652    0.1105    0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2999    0.3558   -0.4091 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0896    1.7348   -0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810    2.1769   -1.0949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1516    2.6246   -0.7044 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218    0.8034   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470    1.1572   -0.5785 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1797    2.5340   -0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1733    2.6727    0.7061 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4112    3.6289   -0.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7870    0.2096   -0.0558 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6988   -2.2552    0.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0774   -2.6809   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894   -2.0945    0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7637    0.8647    0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4331   -0.0105    1.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112   -2.3766    0.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0918   -2.3389   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9156   -1.7174    0.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9216   -1.7977    2.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3698    0.4871    1.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0056    0.5270    0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -0.0659   -1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6909    2.8496    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7386    1.0209   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1471    1.4251    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880    1.1860   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947    3.9597    0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6730    0.5662    0.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 14  1  0
 14 15  2  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  2  0
  6 17  1  0
 17 18  1  0
 18 22  1  0
 22  4  1  0
  4  5  2  0
  4  2  1  0
  2  3  1  0
  2  1  2  0
 18 19  1  0
 19 21  1  0
 19 20  2  0
  9 13  1  0
  5  6  1  0
 16 35  1  0
 13 34  1  6
 12 32  1  0
 12 33  1  0
 11 30  1  0
 11 31  1  0
 10 28  1  0
 10 29  1  0
  8 26  1  0
  8 27  1  0
  7 25  1  0
 17 36  1  0
 17 37  1  0
 18 38  1  6
 22 40  1  0
  5 24  1  0
  3 23  1  0
 21 39  1  0
M  END


  Mrv1652309042202032D          

 22 23  0  0  1  0            999 V2000
    0.1067    8.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    6.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    3.5277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693    3.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041    3.0428    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4888    3.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1019    2.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6603    4.1047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    6.8277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7512    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    8.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    6.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    7.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  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
  9 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  6 17  1  0  0  0  0
 17 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
 18 22  1  0  0  0  0
  4 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0184835

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(=O)[C@@H]1CCCN1C\C=C1/C[C@H](NC(=C1)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H18N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,6,10-11,15H,1-2,4-5,7H2,(H,17,18)(H,19,20)(H,21,22)/b8-3-/t10-,11-/m0/s1

> <INCHI_KEY>
SOKRTWSMFOUWEI-FNYDHOEFSA-N

> <FORMULA>
C14H18N2O6

> <MOLECULAR_WEIGHT>
310.306

> <EXACT_MASS>
310.116486308

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
30.587327339656618

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4E)-4-{2-[(2S)-2-carboxypyrrolidin-1-yl]ethylidene}-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid

> <JCHEM_LOGP>
-3.0918539111147494

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.7074602049169108

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2377328408033472

> <JCHEM_PKA_STRONGEST_BASIC>
9.731742968847064

> <JCHEM_POLAR_SURFACE_AREA>
127.17

> <JCHEM_REFRACTIVITY>
76.9357

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,4E)-4-{2-[(2S)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  O   UNK     0       0.199  15.055   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.199  13.515   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.533  12.745   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -1.134  12.745   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.134  11.205   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.468  10.435   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.468   8.895   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.802   8.125   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -3.802   6.585   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -2.556   5.680   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.032   4.215   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.572   4.215   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.048   5.680   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.512   6.156   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -7.657   5.125   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -6.833   7.662   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -3.802  11.205   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.802  12.745   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.136  13.515   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -5.136  15.055   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -6.469  12.745   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      -2.468  13.515   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   22                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   17                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   13                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    9   14                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    6   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   18    4                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
(2S,4E)-4-{2-[(2S)-2-carboxypyrrolidin-1-yl]ethylidene}-1,2,3,4-tetrahydropyridine-2,6-dicarboxylate	Generator

Chemical Formula

C₁₄H₁₈N₂O₆

Average Mass

310.3060 Da

Monoisotopic Mass

310.11649 Da

IUPAC Name

(2S,4E)-4-{2-[(2S)-2-carboxypyrrolidin-1-yl]ethylidene}-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid

Traditional Name

(2S,4E)-4-{2-[(2S)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

CAS Registry Number

Not Available

SMILES

OC(=O)[C@@H]1CCCN1C\C=C1/C[C@H](NC(=C1)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C14H18N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,6,10-11,15H,1-2,4-5,7H2,(H,17,18)(H,19,20)(H,21,22)/b8-3-/t10-,11-/m0/s1

InChI Key

SOKRTWSMFOUWEI-FNYDHOEFSA-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
Hylocereus ocamponis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Proline and derivatives

Alternative Parents

Substituents

Proline or derivatives
Alpha-amino acid
L-alpha-amino acid
Tricarboxylic acid or derivatives
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Tetrahydropyridine
Hydropyridine
N-alkylpyrrolidine
Pyrrolidine
Amino acid
Tertiary aliphatic amine
Tertiary amine
Organoheterocyclic compound
Azacycle
Carboxylic acid
Secondary amine
Secondary aliphatic amine
Enamine
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Carbonyl group
Amine
Organic nitrogen compound
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	-3.1	ChemAxon
pKa (Strongest Acidic)	1.24	ChemAxon
pKa (Strongest Basic)	9.73	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	127.17 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	76.94 m³·mol⁻¹	ChemAxon
Polarizability	30.59 Å³	ChemAxon
Number of Rings	2	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

162963566

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid (NP0184835)

MOL for NP0184835 ((2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D MOL for NP0184835 ((2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D SDF for NP0184835 ((2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D-SDF for NP0184835 ((2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

PDB for NP0184835 ((2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D PDB for NP0184835 ((2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

SMILES for NP0184835 ((2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

INCHI for NP0184835 ((2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

Structure for NP0184835 ((2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D Structure for NP0184835 ((2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)