NP-MRD: Showing NP-Card for n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid (NP0323360)

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Record Information

Version

2.0

Created at

2022-09-12 02:43:41 UTC

Updated at

2022-09-12 02:43:42 UTC

NP-MRD ID

NP0323360

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid

Description

Agelenotoxin 505 belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group. n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid is found in Agelenopsis aperta. Agelenotoxin 505 is a very strong basic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004181502102D          

 36 37  0  0  0  0            999 V2000
   17.0836   -4.8252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7981   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5125   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2270   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9415   -4.8252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6559   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3704   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0849   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7994   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5138   -5.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2283   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9428   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6572   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3717   -5.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.0862   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8007   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5151   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2296   -5.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2296   -6.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.9441   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6585   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3730   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0875   -5.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.8019   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8019   -4.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5164   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2309   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3171   -4.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1241   -3.8332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5366   -4.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3436   -4.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5985   -5.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0465   -6.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2395   -5.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6875   -6.5585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.9846   -5.1608    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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  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  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  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  1  0  0  0  0
 34 36  2  0  0  0  0
 27 36  1  0  0  0  0
 30 36  1  0  0  0  0
M  END


  Mrv1533004181502102D          

 36 37  0  0  0  0            999 V2000
   17.0836   -4.8252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7981   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5125   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2270   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9415   -4.8252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6559   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3704   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0849   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7994   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5138   -5.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2283   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9428   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6572   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3717   -5.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.0862   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8007   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5151   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2296   -5.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2296   -6.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.9441   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6585   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3730   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0875   -5.2377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.8019   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8019   -4.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5164   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2309   -4.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3171   -4.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1241   -3.8332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5366   -4.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3436   -4.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5985   -5.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0465   -6.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2395   -5.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6875   -6.5585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.9846   -5.1608    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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  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  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  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  1  0  0  0  0
 34 36  2  0  0  0  0
 27 36  1  0  0  0  0
 30 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0323360

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)CC1=CNC2=CC=CC(O)=C12

> <INCHI_IDENTIFIER>
InChI=1S/C26H47N7O3/c27-10-4-13-28-11-1-2-12-29-14-5-15-30-16-6-18-33(36)19-7-17-31-25(35)20-22-21-32-23-8-3-9-24(34)26(22)23/h3,8-9,21,28-30,32,34,36H,1-2,4-7,10-20,27H2,(H,31,35)

> <INCHI_KEY>
JLYKHRGGJINZBF-UHFFFAOYSA-N

> <FORMULA>
C26H47N7O3

> <MOLECULAR_WEIGHT>
505.708

> <EXACT_MASS>
505.374038401

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
59.95271982294129

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1H-indol-3-yl)acetamide

> <ALOGPS_LOGP>
1.17

> <JCHEM_LOGP>
-2.335540420550458

> <ALOGPS_LOGS>
-4.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
4

> <JCHEM_PKA>
15.432394371792558

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.14674541904318

> <JCHEM_PKA_STRONGEST_BASIC>
11.124092535385639

> <JCHEM_POLAR_SURFACE_AREA>
150.7

> <JCHEM_REFRACTIVITY>
146.73549999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.98e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1H-indol-3-yl)acetamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-APR-15         0                                  
HETATM    1  N   UNK     0      31.889  -9.007   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      33.223  -9.777   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      34.557  -9.007   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      35.890  -9.777   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      37.224  -9.007   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      38.558  -9.777   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      39.891  -9.007   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      41.225  -9.777   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      42.559  -9.007   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      43.892  -9.777   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      45.226  -9.007   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      46.560  -9.777   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      47.894  -9.007   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      49.227  -9.777   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      50.561  -9.007   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      51.895  -9.777   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      53.228  -9.007   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      54.562  -9.777   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0      54.562 -11.317   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      55.896  -9.007   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      57.229  -9.777   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      58.563  -9.007   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      59.897  -9.777   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0      61.230  -9.007   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      61.230  -7.467   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      62.564  -9.777   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      63.898  -9.007   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      64.059  -7.476   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      65.565  -7.155   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      66.335  -8.489   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      67.841  -8.809   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      68.317 -10.274   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      67.287 -11.418   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      65.780 -11.098   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      64.750 -12.243   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      65.305  -9.634   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   36                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   36                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   27   30                                                  
MASTER        0    0    0    0    0    0    0    0   36    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₄₇N₇O₃

Average Mass

505.7080 Da

Monoisotopic Mass

505.37404 Da

IUPAC Name

N-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1H-indol-3-yl)acetamide

Traditional Name

N-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1H-indol-3-yl)acetamide

CAS Registry Number

Not Available

SMILES

NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)CC1=CNC2=CC=CC(O)=C12

InChI Identifier

InChI=1S/C26H47N7O3/c27-10-4-13-28-11-1-2-12-29-14-5-15-30-16-6-18-33(36)19-7-17-31-25(35)20-22-21-32-23-8-3-9-24(34)26(22)23/h3,8-9,21,28-30,32,34,36H,1-2,4-7,10-20,27H2,(H,31,35)

InChI Key

JLYKHRGGJINZBF-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Agelenopsis aperta	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Hydroxyindoles

Direct Parent

Hydroxyindoles

Alternative Parents

Substituents

3-alkylindole
Hydroxyindole
Indole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Substituted pyrrole
Benzenoid
Pyrrole
Heteroaromatic compound
Amino acid or derivatives
Carboxamide group
Secondary carboxylic acid amide
Azacycle
N-organohydroxylamine
Carboxylic acid derivative
Secondary amine
Secondary aliphatic amine
Organic oxide
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic nitrogen compound
Organic oxygen compound
Amine
Carbonyl group
Hydrocarbon derivative
Organopnictogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	1.17	ALOGPS
logP	-2.3	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	8.15	ChemAxon
pKa (Strongest Basic)	11.12	ChemAxon
Physiological Charge	4	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	150.7 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	146.74 m³·mol⁻¹	ChemAxon
Polarizability	59.95 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

182908

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid (NP0323360)

MOL for NP0323360 (n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid)

3D MOL for NP0323360 (n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid)

3D SDF for NP0323360 (n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid)

3D-SDF for NP0323360 (n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid)

PDB for NP0323360 (n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid)

3D PDB for NP0323360 (n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid)

SMILES for NP0323360 (n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid)

INCHI for NP0323360 (n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid)

Structure for NP0323360 (n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid)

3D Structure for NP0323360 (n-[3-(17-amino-1-hydroxy-1,5,9,14-tetraazaheptadecan-1-yl)propyl]-2-(4-hydroxy-1h-indol-3-yl)ethanimidic acid)