NP-MRD: Showing NP-Card for 3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid (NP0233526)

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Record Information

Version

2.0

Created at

2022-09-06 15:09:39 UTC

Updated at

2022-09-06 15:09:39 UTC

NP-MRD ID

NP0233526

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid

Description

3-[(5-Amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid belongs to the class of organic compounds known as delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. 3-[(5-Amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 46  0  0  0  0  0  0  0  0999 V2000
   -2.9981   -1.1216   -2.0111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1216   -1.4722   -0.6124 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5567   -1.4725   -0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2046   -0.2589   -0.4253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -0.8218    0.3010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8636   -1.2009   -0.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2670    0.6241    0.5460 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5001    1.0476    0.9799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8430    1.5213   -0.5874 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7233    1.5047   -1.6677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    1.2898   -1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2147    1.1143   -2.2240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    1.2593   -0.1089 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807    1.0194   -0.6557 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8765    2.1897   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507    2.0677   -0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6046    1.0705   -1.4462 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1739    3.0615   -0.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5581   -0.2095   -0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834   -0.4202    1.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165   -1.5797    1.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   -2.5503    1.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6118   -2.3470   -0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0704   -1.1713   -0.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8984   -1.2222   -2.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2445   -1.6575   -2.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8247   -2.5845   -0.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1031   -2.2078   -0.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7431   -1.8589    0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9665   -0.1648    0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2685   -1.3369    1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8842   -1.8837   -0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5541    0.8899    1.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5362    1.3301    1.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9145    2.5741   -0.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729    2.3014   -2.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5533    1.3913    0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9556    0.8913   -1.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3612    3.1133   -0.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207    2.3044    0.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9485    4.0471   -0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1721    0.3547    1.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -1.7544    2.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488   -3.4505    1.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0141   -3.1003   -0.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0984   -1.1202   -1.9602 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
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 18  1  0
 16 17  2  0
 14 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  6
  3 28  1  0
  3 29  1  0
  4 30  1  0
  5 31  1  1
  6 32  1  0
  7 33  1  1
  8 34  1  0
  9 35  1  1
 10 36  1  0
 13 37  1  0
 14 38  1  6
 15 39  1  0
 15 40  1  0
 18 41  1  0
 20 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  0
 24 46  1  0
M  END


  Mrv1533004171515522D          

 24 24  0  0  0  0            999 V2000
   -3.5724   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   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
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0233526

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC(CO)C(O)C(O)C(O)C(=O)NC(CC(O)=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H22N2O7/c16-9(7-18)12(21)13(22)14(23)15(24)17-10(6-11(19)20)8-4-2-1-3-5-8/h1-5,9-10,12-14,18,21-23H,6-7,16H2,(H,17,24)(H,19,20)

> <INCHI_KEY>
GVOBXKQKXYPNTR-UHFFFAOYSA-N

> <FORMULA>
C15H22N2O7

> <MOLECULAR_WEIGHT>
342.348

> <EXACT_MASS>
342.142701056

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
33.337941038660034

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(5-amino-2,3,4,6-tetrahydroxyhexanamido)-3-phenylpropanoic acid

> <ALOGPS_LOGP>
-2.43

> <JCHEM_LOGP>
-4.865078237465461

> <ALOGPS_LOGS>
-1.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.010319112402563

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7694052380894085

> <JCHEM_PKA_STRONGEST_BASIC>
8.30471877780467

> <JCHEM_POLAR_SURFACE_AREA>
173.34

> <JCHEM_REFRACTIVITY>
81.71420000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.66e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(5-amino-2,3,4,6-tetrahydroxyhexanamido)-3-phenylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  N   UNK     0      -6.668  -0.770   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -9.336  -2.310   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -5.335  -4.620   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       0.000  -3.080   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2    4                                                       
CONECT    4    3                                                            
CONECT    5    2    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   14   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Value	Source
3-[(5-Amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoate	Generator

Chemical Formula

C₁₅H₂₂N₂O₇

Average Mass

342.3480 Da

Monoisotopic Mass

342.14270 Da

IUPAC Name

3-(5-amino-2,3,4,6-tetrahydroxyhexanamido)-3-phenylpropanoic acid

Traditional Name

3-(5-amino-2,3,4,6-tetrahydroxyhexanamido)-3-phenylpropanoic acid

CAS Registry Number

Not Available

SMILES

NC(CO)C(O)C(O)C(O)C(=O)NC(CC(O)=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C15H22N2O7/c16-9(7-18)12(21)13(22)14(23)15(24)17-10(6-11(19)20)8-4-2-1-3-5-8/h1-5,9-10,12-14,18,21-23H,6-7,16H2,(H,17,24)(H,19,20)

InChI Key

GVOBXKQKXYPNTR-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 delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 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

Delta amino acids and derivatives

Alternative Parents

Substituents

Delta amino acid or derivatives
Beta amino acid or derivatives
3-phenylpropanoic-acid
Monocyclic benzene moiety
Fatty amide
Fatty acyl
Benzenoid
Monosaccharide
N-acyl-amine
1,3-aminoalcohol
1,2-aminoalcohol
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Polyol
Amine
Primary aliphatic amine
Hydrocarbon derivative
Alcohol
Organic nitrogen compound
Carbonyl group
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Primary amine
Primary alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	-2.4	ALOGPS
logP	-4.9	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.77	ChemAxon
pKa (Strongest Basic)	8.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	173.34 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	81.71 m³·mol⁻¹	ChemAxon
Polarizability	33.34 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	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

18465977

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid (NP0233526)

MOL for NP0233526 (3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid)

3D MOL for NP0233526 (3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid)

3D SDF for NP0233526 (3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid)

3D-SDF for NP0233526 (3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid)

PDB for NP0233526 (3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid)

3D PDB for NP0233526 (3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid)

SMILES for NP0233526 (3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid)

INCHI for NP0233526 (3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid)

Structure for NP0233526 (3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid)

3D Structure for NP0233526 (3-[(5-amino-1,2,3,4,6-pentahydroxyhexylidene)amino]-3-phenylpropanoic acid)