NP-MRD: Showing NP-Card for 5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid (NP0220554)

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Record Information

Version

2.0

Created at

2022-09-05 21:54:10 UTC

Updated at

2022-09-05 21:54:10 UTC

NP-MRD ID

NP0220554

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid

Description

5-({1,4-Bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. 5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid is found in Pholiota spumosa. 5-({1,4-Bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004261513072D          

 37 38  0  0  0  0            999 V2000
    7.4467   -8.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -7.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    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
  2  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
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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
 18 16  1  4  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 28  1  4  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
M  END


  Mrv1533004261513072D          

 37 38  0  0  0  0            999 V2000
    7.4467   -8.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -7.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    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
  2  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
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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
 18 16  1  4  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 28  1  4  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0220554

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)(CC(O)=O)CC(=O)OC(CCNC(=O)C=CC1=CC=CC=C1)CNC(=O)C=CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C28H32N2O7/c1-28(36,18-26(33)34)19-27(35)37-23(20-30-25(32)15-13-22-10-6-3-7-11-22)16-17-29-24(31)14-12-21-8-4-2-5-9-21/h2-15,23,36H,16-20H2,1H3,(H,29,31)(H,30,32)(H,33,34)

> <INCHI_KEY>
KIIAOYYFHUSITN-UHFFFAOYSA-N

> <FORMULA>
C28H32N2O7

> <MOLECULAR_WEIGHT>
508.571

> <EXACT_MASS>
508.220951378

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
54.64066043359302

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-{[1,4-bis(3-phenylprop-2-enamido)butan-2-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

> <ALOGPS_LOGP>
2.41

> <JCHEM_LOGP>
2.2799691613333324

> <ALOGPS_LOGS>
-5.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.65709224526272

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.199607804512284

> <JCHEM_PKA_STRONGEST_BASIC>
-0.03595754477274704

> <JCHEM_POLAR_SURFACE_AREA>
142.03

> <JCHEM_REFRACTIVITY>
139.06199999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.44e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-{[1,4-bis(3-phenylprop-2-enamido)butan-2-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0      13.900 -15.964   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      15.440 -13.296   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      16.004 -15.400   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.338 -14.630   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      18.672 -15.400   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      17.338 -13.090   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      12.003 -16.170   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      10.669 -13.860   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       6.668 -11.550   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.335 -13.860   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.003 -11.550   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      13.337 -12.320   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      14.670 -11.550   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      14.670 -10.010   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      17.338 -11.550   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      18.672 -12.320   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      20.005 -11.550   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      21.339 -12.320   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      21.339 -13.860   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      18.672 -13.860   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4    8                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    2    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   26                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   20                                                       
CONECT   26   12   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   32                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   76    0
END

View in JSmol

Synonyms

Value	Source
5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoate	Generator

Chemical Formula

C₂₈H₃₂N₂O₇

Average Mass

508.5710 Da

Monoisotopic Mass

508.22095 Da

IUPAC Name

5-{[1,4-bis(3-phenylprop-2-enamido)butan-2-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

Traditional Name

5-{[1,4-bis(3-phenylprop-2-enamido)butan-2-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

CAS Registry Number

Not Available

SMILES

CC(O)(CC(O)=O)CC(=O)OC(CCNC(=O)C=CC1=CC=CC=C1)CNC(=O)C=CC1=CC=CC=C1

InChI Identifier

InChI=1S/C28H32N2O7/c1-28(36,18-26(33)34)19-27(35)37-23(20-30-25(32)15-13-22-10-6-3-7-11-22)16-17-29-24(31)14-12-21-8-4-2-5-9-21/h2-15,23,36H,16-20H2,1H3,(H,29,31)(H,30,32)(H,33,34)

InChI Key

KIIAOYYFHUSITN-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Pholiota Spumosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Cinnamic acid amides

Direct Parent

Cinnamic acid amides

Alternative Parents

Substituents

Cinnamic acid amide
Styrene
Fatty acid ester
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Fatty acyl
Benzenoid
Tertiary alcohol
Carboxamide group
Carboxylic acid ester
Secondary carboxylic acid amide
Carboxylic acid derivative
Carboxylic acid
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Alcohol
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
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	2.41	ALOGPS
logP	2.28	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	4.2	ChemAxon
pKa (Strongest Basic)	-0.036	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	142.03 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	139.06 m³·mol⁻¹	ChemAxon
Polarizability	54.64 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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid (NP0220554)

MOL for NP0220554 (5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid)

3D MOL for NP0220554 (5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid)

3D SDF for NP0220554 (5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid)

3D-SDF for NP0220554 (5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid)

PDB for NP0220554 (5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid)

3D PDB for NP0220554 (5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid)

SMILES for NP0220554 (5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid)

INCHI for NP0220554 (5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid)

Structure for NP0220554 (5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid)

3D Structure for NP0220554 (5-({1,4-bis[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butan-2-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid)