NP-MRD: Showing NP-Card for 1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid (NP0309644)

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Record Information

Version

2.0

Created at

2022-09-11 04:23:09 UTC

Updated at

2022-09-11 04:23:09 UTC

NP-MRD ID

NP0309644

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid

Description

1-{1-Carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. 1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid is found in Dickeya chrysanthemi. Based on a literature review very few articles have been published on 1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112206232D          

 41 42  0  0  0  0            999 V2000
   -3.7437   -2.7755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3148   -3.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3148   -4.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0293   -4.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3148   -6.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309112206232D          

 41 42  0  0  0  0            999 V2000
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   -5.2119   -0.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3834   -1.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7639    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3514    1.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5444    0.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2813    1.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7393    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4926    1.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1809    0.5052    0.0000 O   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
  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
  7  9  2  0  0  0  0
  9 10  1  4  0  0  0
 10 11  1  0  0  0  0
 11 12  1  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  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  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
 23 25  1  0  0  0  0
  4 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0309644

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(CC(O)(CC(=O)OCCN1C(=O)CCC1(O)C(O)=O)C(O)=O)=NCCC(N1C(=O)CCC1(O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H29N3O16/c26-12(23-6-3-11(16(30)31)25-14(28)2-5-22(25,40)19(36)37)9-20(38,17(32)33)10-15(29)41-8-7-24-13(27)1-4-21(24,39)18(34)35/h11,38-40H,1-10H2,(H,23,26)(H,30,31)(H,32,33)(H,34,35)(H,36,37)

> <INCHI_KEY>
JIVPNYWQBCSFIL-UHFFFAOYSA-N

> <FORMULA>
C22H29N3O16

> <MOLECULAR_WEIGHT>
591.479

> <EXACT_MASS>
591.154781866

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
52.72107346421809

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid

> <JCHEM_LOGP>
-5.643701284236523

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
2.7259593749452518

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.2880566406526546

> <JCHEM_PKA_STRONGEST_BASIC>
5.8217688972838415

> <JCHEM_POLAR_SURFACE_AREA>
309.4

> <JCHEM_REFRACTIVITY>
123.66549999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  O   UNK     0      -6.988  -5.181   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -5.655  -4.411   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.321  -5.181   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.321  -6.721   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -5.861  -6.721   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -4.321  -8.261   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.655  -9.031   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -6.988  -8.261   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      -5.655 -10.571   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -4.321 -11.341   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.321 -12.881   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.987 -13.651   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.654 -12.881   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.654 -11.341   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -0.320 -13.651   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      -2.987 -15.191   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -1.741 -16.096   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.277 -15.620   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -2.217 -17.561   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.757 -17.561   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.233 -16.096   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -5.743 -16.400   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -5.276 -14.962   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -6.778 -15.298   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -4.815 -13.493   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -2.781  -6.721   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.011  -8.055   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -2.011  -5.387   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.655  -2.871   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -6.988  -2.101   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -6.988  -0.561   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      -8.322   0.209   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      -9.729  -0.417   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0     -10.049  -1.924   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0     -10.759   0.727   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -9.989   2.061   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -8.483   1.741   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -7.992   3.200   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -6.980   2.077   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -6.520   3.546   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -5.938   0.943   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   29                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6   26                                             
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   12   17   21                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   16   22   23                                             
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26    4   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29    2   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   37                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   32   38   39                                             
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   84    0
END

View in JSmol

Synonyms

Value	Source
1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylate	Generator

Chemical Formula

C₂₂H₂₉N₃O₁₆

Average Mass

591.4790 Da

Monoisotopic Mass

591.15478 Da

IUPAC Name

1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid

Traditional Name

1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

OC(CC(O)(CC(=O)OCCN1C(=O)CCC1(O)C(O)=O)C(O)=O)=NCCC(N1C(=O)CCC1(O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C22H29N3O16/c26-12(23-6-3-11(16(30)31)25-14(28)2-5-22(25,40)19(36)37)9-20(38,17(32)33)10-15(29)41-8-7-24-13(27)1-4-21(24,39)18(34)35/h11,38-40H,1-10H2,(H,23,26)(H,30,31)(H,32,33)(H,34,35)(H,36,37)

InChI Key

JIVPNYWQBCSFIL-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
Dickeya chrysanthemi	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Pentacarboxylic acids and derivatives

Direct Parent

Pentacarboxylic acids and derivatives

Alternative Parents

Substituents

Pentacarboxylic acid or derivatives
Alpha-amino acid or derivatives
Oxoproline
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Fatty acid ester
Alpha-hydroxy acid
Hydroxy acid
Fatty acyl
Pyrrolidone
2-pyrrolidone
N-alkylpyrrolidine
Pyrrolidine
Tertiary carboxylic acid amide
Tertiary alcohol
Lactam
Carboxamide group
Carboxylic acid ester
Organoheterocyclic compound
Organic 1,3-dipolar compound
Alkanolamine
Azacycle
Propargyl-type 1,3-dipolar organic compound
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Alcohol
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organic oxide
Carbonyl group
Hydrocarbon derivative
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	-5.6	ChemAxon
pKa (Strongest Acidic)	2.29	ChemAxon
pKa (Strongest Basic)	5.82	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	309.4 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	123.67 m³·mol⁻¹	ChemAxon
Polarizability	52.72 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

75239911

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-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid (NP0309644)

MOL for NP0309644 (1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid)

3D MOL for NP0309644 (1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid)

3D SDF for NP0309644 (1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid)

3D-SDF for NP0309644 (1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid)

PDB for NP0309644 (1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid)

3D PDB for NP0309644 (1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid)

SMILES for NP0309644 (1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid)

INCHI for NP0309644 (1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid)

Structure for NP0309644 (1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid)

3D Structure for NP0309644 (1-{1-carboxy-3-[(3-carboxy-3-{2-[2-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-2-oxoethyl}-1,3-dihydroxypropylidene)amino]propyl}-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid)