NP-MRD: Showing NP-Card for (4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid (NP0192373)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-04 09:34:15 UTC

Updated at

2022-09-04 09:34:15 UTC

NP-MRD ID

NP0192373

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid

Description

C08554 belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. (4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid is found in Portulaca smallii. Based on a literature review very few articles have been published on C08554.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 42  0  0  0  0  0  0  0  0999 V2000
    6.2975    0.2074    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460    0.9474    0.4579 S   0  0  0  0  0  3  0  0  0  0  0  0
    4.8349    2.2654    1.4268 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.7101    1.0961   -0.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4553   -0.3271   -1.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5485   -0.9408   -0.3439 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4350   -0.0902   -0.3732 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2154   -0.2358   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    0.8972   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9373    0.7180    0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3911   -0.5594    0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5355   -1.0184    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1029   -2.3076    0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6578   -3.1538    1.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2603   -2.7413   -0.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0934   -0.1382   -0.8482 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2302    1.2860   -0.6295 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2388    1.4609    0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9657    2.2021    1.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5087    0.8463    0.4276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9158    1.8511   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1493   -0.9533    1.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7253   -0.1684    1.9253 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1664   -1.7885    1.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132    0.9349    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5572   -0.5585    0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708   -0.2857   -0.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1191    1.7431   -1.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6926    1.4505   -0.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3674   -0.9054   -1.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8421   -0.3670   -2.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3324   -1.9742   -0.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622   -1.1809    0.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049    1.8041   -0.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332   -1.0967    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3555   -2.5869   -1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4542   -0.5524   -1.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5860    1.8393   -1.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5013   -0.1634    0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.5987   -0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403    2.2959    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7253   -2.3505    0.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  6
  2  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  2  0
 10 21  1  0
 21 17  1  0
 17 16  1  0
 16 12  1  0
 12 11  2  0
 12 13  1  0
 13 15  1  0
 13 14  2  0
 17 18  1  0
 18 20  1  0
 18 19  2  0
  6 22  1  0
 22 24  1  0
 22 23  2  0
 11 10  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  6
  8 33  1  0
  9 34  1  0
 21 40  1  0
 21 41  1  0
 17 38  1  6
 16 37  1  0
 11 35  1  0
 15 36  1  0
 20 39  1  0
 24 42  1  0
M  CHG  2   2   1   3  -1
M  END


  Mrv1652309042211342D          

 24 24  0  0  0  0            999 V2000
   -1.8414   -4.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
   -1.8414   -5.6645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6039   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -6.3789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -6.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086   -7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211   -6.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3461   -6.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586   -5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836   -5.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3461   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586   -7.0934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3461   -7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586   -8.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3461   -9.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836   -8.5224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211   -7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -4.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -4.9500    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 10 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
> <DATABASE_ID>
NP0192373

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[S+]([O-])CCC(N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2+,15-4?

> <INCHI_KEY>
KRWNKOCPQBHMPM-FNHXKPTKSA-N

> <FORMULA>
C14H18N2O7S

> <MOLECULAR_WEIGHT>
358.37

> <EXACT_MASS>
358.083472102

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
33.821729769939374

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4Z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid

> <JCHEM_LOGP>
-5.1266442589997245

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.4095936564967078

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4875185300277876

> <JCHEM_PKA_STRONGEST_BASIC>
8.420997826202393

> <JCHEM_POLAR_SURFACE_AREA>
153.36

> <JCHEM_REFRACTIVITY>
87.15769999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(4Z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]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  C   UNK     0      -3.437  -7.906   0.000  0.00  0.00           C+0
HETATM    2  S   UNK     0      -2.667  -9.240   0.000  0.00  0.00           S+1
HETATM    3  O   UNK     0      -3.437 -10.574   0.000  0.00  0.00           O-1
HETATM    4  C   UNK     0      -1.127  -9.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.357 -10.574   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.183 -10.574   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       1.953 -11.907   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       3.493 -11.907   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.263 -13.241   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.803 -13.241   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.573 -11.907   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.113 -11.907   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.883 -10.574   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      10.423 -10.574   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       8.113  -9.240   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0       8.883 -13.241   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       8.113 -14.575   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.883 -15.908   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.113 -17.242   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      10.423 -15.908   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.573 -14.575   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.953  -9.240   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.183  -7.906   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       3.493  -9.240   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   22                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   21                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   12   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   17   10                                                       
CONECT   22    6   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₄H₁₈N₂O₇S

Average Mass

358.3700 Da

Monoisotopic Mass

358.08347 Da

IUPAC Name

(4Z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid

Traditional Name

(4Z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

CAS Registry Number

Not Available

SMILES

C[S+]([O-])CCC(N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2+,15-4?

InChI Key

KRWNKOCPQBHMPM-FNHXKPTKSA-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
Portulaca smallii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-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

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
D-alpha-amino acid
Tricarboxylic acid or derivatives
Thia fatty acid
Tetrahydropyridine
Fatty acyl
Hydropyridine
Amino acid
Sulfoxide
Shiff base
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Sulfinyl compound
Secondary amine
Enamine
Secondary aliphatic amine
Carboxylic acid
Aldimine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Imine
Carbonyl group
Amine
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	-5.1	ChemAxon
pKa (Strongest Acidic)	1.49	ChemAxon
pKa (Strongest Basic)	8.42	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	153.36 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	87.16 m³·mol⁻¹	ChemAxon
Polarizability	33.82 Å³	ChemAxon
Number of Rings	1	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

135909833

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid (NP0192373)

MOL for NP0192373 ((4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D MOL for NP0192373 ((4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D SDF for NP0192373 ((4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D-SDF for NP0192373 ((4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

PDB for NP0192373 ((4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D PDB for NP0192373 ((4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

SMILES for NP0192373 ((4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

INCHI for NP0192373 ((4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

Structure for NP0192373 ((4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D Structure for NP0192373 ((4z)-4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)