NP-MRD: Showing NP-Card for 2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid (NP0287554)

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Record Information

Version

2.0

Created at

2022-09-09 16:44:56 UTC

Updated at

2022-09-09 16:44:56 UTC

NP-MRD ID

NP0287554

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid

Description

SCHEMBL17866906 belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid is found in Streptomyces griseus. SCHEMBL17866906 is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004261504562D          

 40 41  0  0  0  0            999 V2000
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    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
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8592   -4.5375    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
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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  5 11  1  0  0  0  0
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 18 24  1  0  0  0  0
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 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END

     RDKit          3D

 80 81  0  0  0  0  0  0  0  0999 V2000
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 40 80  1  0
M  END


  Mrv1533004261504562D          

 40 41  0  0  0  0            999 V2000
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    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -4.5375    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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
  3 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
 14 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
 19 20  1  0  0  0  0
 20 21  2  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
 18 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 28 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
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0287554

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CNC(CC1=CC=C(O)C=C1)C(=O)N(C)C(CC1=CC=C(O)C=C1)C(=O)NC(CC(C)C)C(=O)NC(C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H40N4O7/c1-17(2)14-23(26(36)31-18(3)29(39)40)32-27(37)25(16-20-8-12-22(35)13-9-20)33(5)28(38)24(30-4)15-19-6-10-21(34)11-7-19/h6-13,17-18,23-25,30,34-35H,14-16H2,1-5H3,(H,31,36)(H,32,37)(H,39,40)

> <INCHI_KEY>
RMTBEJIJFWZNPI-UHFFFAOYSA-N

> <FORMULA>
C29H40N4O7

> <MOLECULAR_WEIGHT>
556.66

> <EXACT_MASS>
556.289699644

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
58.048774481189845

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{2-[3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-N-methyl-2-(methylamino)propanamido]propanamido]-4-methylpentanamido}propanoic acid

> <ALOGPS_LOGP>
1.45

> <JCHEM_LOGP>
-0.04511454603782591

> <ALOGPS_LOGS>
-4.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.246686341863366

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.569152573576194

> <JCHEM_PKA_STRONGEST_BASIC>
8.310195257871952

> <JCHEM_POLAR_SURFACE_AREA>
168.29999999999998

> <JCHEM_REFRACTIVITY>
148.93420000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.85e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{2-[3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-N-methyl-2-(methylamino)propanamido]propanamido]-4-methylpentanamido}propanoic 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       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       1.334  -8.470   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -8.470   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001  -8.470   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667  -6.160   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667  -6.160   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       4.001  -6.930   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       4.001  -8.470   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335  -6.160   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.002  -1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.669  -1.540   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       9.336  -3.850   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.668  -8.470   0.000  0.00  0.00           O+0
HETATM   27  N   UNK     0       8.002  -6.160   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.336  -8.470   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.003  -8.470   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.669 -10.780   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.669  -6.160   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   35  N   UNK     0      12.003  -6.930   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0      13.337  -6.160   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      16.004  -6.160   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      14.670  -8.470   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   12                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10    5                                                       
CONECT   12    3   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   25                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   24                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   18                                                       
CONECT   25   16   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   28   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

View in JSmol

Synonyms

Value	Source
2-[(1-Hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-N-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoate	Generator

Chemical Formula

C₂₉H₄₀N₄O₇

Average Mass

556.6600 Da

Monoisotopic Mass

556.28970 Da

IUPAC Name

2-{2-[3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-N-methyl-2-(methylamino)propanamido]propanamido]-4-methylpentanamido}propanoic acid

Traditional Name

2-{2-[3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-N-methyl-2-(methylamino)propanamido]propanamido]-4-methylpentanamido}propanoic acid

CAS Registry Number

Not Available

SMILES

CNC(CC1=CC=C(O)C=C1)C(=O)N(C)C(CC1=CC=C(O)C=C1)C(=O)NC(CC(C)C)C(=O)NC(C)C(O)=O

InChI Identifier

InChI=1S/C29H40N4O7/c1-17(2)14-23(26(36)31-18(3)29(39)40)32-27(37)25(16-20-8-12-22(35)13-9-20)33(5)28(38)24(30-4)15-19-6-10-21(34)11-7-19/h6-13,17-18,23-25,30,34-35H,14-16H2,1-5H3,(H,31,36)(H,32,37)(H,39,40)

InChI Key

RMTBEJIJFWZNPI-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
Streptomyces griseus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Tyrosine or derivatives
Phenylalanine or derivatives
Leucine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alanine or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aralkylamine
Benzenoid
Fatty acyl
Monocyclic benzene moiety
N-acyl-amine
Fatty amide
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary amine
Monocarboxylic acid or derivatives
Secondary aliphatic amine
Carboxylic acid
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organonitrogen compound
Organopnictogen compound
Organooxygen compound
Amine
Organic oxygen compound
Organic nitrogen 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	1.45	ALOGPS
logP	-0.045	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	3.57	ChemAxon
pKa (Strongest Basic)	8.31	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	168.3 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	148.93 m³·mol⁻¹	ChemAxon
Polarizability	58.05 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

85123929

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid (NP0287554)

MOL for NP0287554 (2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid)

3D MOL for NP0287554 (2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid)

3D SDF for NP0287554 (2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid)

3D-SDF for NP0287554 (2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid)

PDB for NP0287554 (2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid)

3D PDB for NP0287554 (2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid)

SMILES for NP0287554 (2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid)

INCHI for NP0287554 (2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid)

Structure for NP0287554 (2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid)

3D Structure for NP0287554 (2-[(1-hydroxy-2-{[1-hydroxy-3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-n-methyl-2-(methylamino)propanamido]propylidene]amino}-4-methylpentylidene)amino]propanoic acid)