NP-MRD: Showing NP-Card for 2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid (NP0321808)

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Record Information

Version

2.0

Created at

2022-09-12 00:13:03 UTC

Updated at

2022-09-12 00:13:03 UTC

NP-MRD ID

NP0321808

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid

Description

2-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. 2-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 48  0  0  0  0  0  0  0  0999 V2000
   -6.4978    2.2281   -0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9964    0.8245   -0.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3619    0.2673    0.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8267   -1.1165    0.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7969   -1.1325   -0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1097   -1.5110   -1.6075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4097   -0.6976   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -1.8196    0.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3349   -1.4841    0.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176   -1.2562   -0.1947 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8852   -0.8998    0.2002 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195    0.1504   -0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687    0.8753   -1.3117 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9915    0.4362    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6614    1.4276   -0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0448    1.7867   -0.3637 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9023    0.5967   -0.3073 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927    2.4736    0.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4190    3.5324    1.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8201    2.0591    2.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6459   -2.4967   -0.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7945   -3.0117   -1.1338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4507   -3.0821   -1.5665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8890    2.9830   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5170    2.3700    0.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5467    2.3800   -0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8545    0.2425   -0.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2175    0.9022   -1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5030    0.9148    1.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0922    0.2893    1.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6860   -1.7579    0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3888   -1.4867    1.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3839    0.2578    0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -0.6463   -1.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9001   -2.7517    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3866   -1.9391    1.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3818   -0.6151    1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0361   -2.3339    1.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1288   -0.4389   -0.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943   -1.4806    0.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5322   -0.5200    0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9529    0.9540    1.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7709    0.9640   -1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0408    2.3441   -0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5184    2.4617   -1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8885    0.1249   -1.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8369    0.8150    0.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1309    1.0990    2.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5540   -3.2826   -2.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 20  1  0
 18 19  2  0
 10 21  1  0
 21 23  1  0
 21 22  2  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
 10 39  1  6
 11 40  1  0
 14 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 16 45  1  6
 17 46  1  0
 17 47  1  0
 20 48  1  0
 23 49  1  0
M  END


  Mrv1533004241518092D          

 23 22  0  0  0  0            999 V2000
    5.9961    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2829    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    4.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    5.5243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7131    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    3.0493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    3.0493    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
  5  6  2  0  0  0  0
  5  7  1  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  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
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0321808

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC(=O)CCCC(NC(=O)CCC(N)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H26N2O6/c1-2-3-5-10(18)6-4-7-12(15(22)23)17-13(19)9-8-11(16)14(20)21/h11-12H,2-9,16H2,1H3,(H,17,19)(H,20,21)(H,22,23)

> <INCHI_KEY>
YKKFSDKZBGDWDC-UHFFFAOYSA-N

> <FORMULA>
C15H26N2O6

> <MOLECULAR_WEIGHT>
330.381

> <EXACT_MASS>
330.179086565

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
35.058046641378034

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(4-amino-4-carboxybutanamido)-6-oxodecanoic acid

> <ALOGPS_LOGP>
-1.98

> <JCHEM_LOGP>
-1.7945565177749359

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.903033966924766

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8927684233112956

> <JCHEM_PKA_STRONGEST_BASIC>
9.312080799862382

> <JCHEM_POLAR_SURFACE_AREA>
146.79

> <JCHEM_REFRACTIVITY>
81.35649999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.12e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(4-amino-4-carboxybutanamido)-6-oxodecanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      11.193   8.002   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.526   8.772   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.860   8.002   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.194   8.772   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.527   8.002   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      16.527   6.462   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      17.861   8.772   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      19.195   8.002   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      20.528   8.772   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      21.862   8.002   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      23.196   8.772   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      24.529   8.002   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      24.529   6.462   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      25.863   8.772   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      27.197   8.002   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      28.530   8.772   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      28.530  10.312   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      29.864   8.002   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      31.198   8.772   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      29.864   6.462   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      21.862   6.462   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      23.196   5.692   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      20.528   5.692   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   21                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   10   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Value	Source
2-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoate	Generator

Chemical Formula

C₁₅H₂₆N₂O₆

Average Mass

330.3810 Da

Monoisotopic Mass

330.17909 Da

IUPAC Name

2-(4-amino-4-carboxybutanamido)-6-oxodecanoic acid

Traditional Name

2-(4-amino-4-carboxybutanamido)-6-oxodecanoic acid

CAS Registry Number

Not Available

SMILES

CCCCC(=O)CCCC(NC(=O)CCC(N)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C15H26N2O6/c1-2-3-5-10(18)6-4-7-12(15(22)23)17-13(19)9-8-11(16)14(20)21/h11-12H,2-9,16H2,1H3,(H,17,19)(H,20,21)(H,22,23)

InChI Key

YKKFSDKZBGDWDC-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 dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Gamma-glutamyl alpha-amino acid
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
Medium-chain keto acid
Amino fatty acid
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Ketone
Amino acid
Carboxylic acid
Organonitrogen compound
Organic oxide
Organic nitrogen compound
Organooxygen compound
Carbonyl group
Organopnictogen compound
Primary amine
Primary aliphatic amine
Organic oxygen compound
Hydrocarbon derivative
Amine
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	-2	ALOGPS
logP	-1.8	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	1.89	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	146.79 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	81.36 m³·mol⁻¹	ChemAxon
Polarizability	35.06 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

85413559

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid (NP0321808)

MOL for NP0321808 (2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid)

3D MOL for NP0321808 (2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid)

3D SDF for NP0321808 (2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid)

3D-SDF for NP0321808 (2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid)

PDB for NP0321808 (2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid)

3D PDB for NP0321808 (2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid)

SMILES for NP0321808 (2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid)

INCHI for NP0321808 (2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid)

Structure for NP0321808 (2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid)

3D Structure for NP0321808 (2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-6-oxodecanoic acid)