NP-MRD: Showing NP-Card for 3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid (NP0251532)

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Record Information

Version

2.0

Created at

2022-09-07 14:45:12 UTC

Updated at

2022-09-07 14:45:12 UTC

NP-MRD ID

NP0251532

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid

Description

3-[(5-Aminopentyl)(hydroxy)carbamoyl]-N-[5-(N-hydroxy-3-{[5-(N-hydroxypropanamido)pentyl]-C-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. 3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid is found in Streptomyces venezuelae. Based on a literature review very few articles have been published on 3-[(5-aminopentyl)(hydroxy)carbamoyl]-N-[5-(N-hydroxy-3-{[5-(N-hydroxypropanamido)pentyl]-C-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072216452D          

 40 39  0  0  0  0            999 V2000
   -6.4815   -4.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7671   -4.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0526   -4.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0526   -5.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3381   -4.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3381   -3.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6237   -4.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9092   -4.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1947   -4.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802   -4.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658   -4.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -4.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632   -4.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632   -5.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776   -4.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5211    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    1.6204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    1.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0934    4.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 N   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  2  0  0  0  0
  3  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072216452D          

 40 39  0  0  0  0            999 V2000
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    0.6632   -5.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776   -4.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921   -2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066   -3.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921   -2.0921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776   -1.6796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211   -0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    1.6204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    1.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    4.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 N   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  2  0  0  0  0
  3  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  4  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 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  1  0  0  0  0
 26 25  1  4  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  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
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0251532

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN

> <INCHI_IDENTIFIER>
InChI=1S/C26H50N6O8/c1-2-24(35)30(38)19-10-4-7-17-28-23(34)13-15-26(37)32(40)21-11-5-8-18-29-22(33)12-14-25(36)31(39)20-9-3-6-16-27/h38-40H,2-21,27H2,1H3,(H,28,34)(H,29,33)

> <INCHI_KEY>
VMOMXMCMDBGRMY-UHFFFAOYSA-N

> <FORMULA>
C26H50N6O8

> <MOLECULAR_WEIGHT>
574.72

> <EXACT_MASS>
574.369012594

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
90

> <JCHEM_AVERAGE_POLARIZABILITY>
65.34866536292955

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(5-aminopentyl)(hydroxy)carbamoyl]-N-[5-(N-hydroxy-3-{[5-(N-hydroxypropanamido)pentyl]-C-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid

> <JCHEM_LOGP>
-3.1357685444168584

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
6.7372179414693685

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.152485168762175

> <JCHEM_PKA_STRONGEST_BASIC>
10.225193957012959

> <JCHEM_POLAR_SURFACE_AREA>
212.82000000000002

> <JCHEM_REFRACTIVITY>
150.62109999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
24

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-[(5-aminopentyl)(hydroxy)carbamoyl]-N-[5-(N-hydroxy-3-{[5-(N-hydroxypropanamido)pentyl]-C-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0     -12.099  -8.525   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.765  -7.755   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.432  -8.525   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -9.432 -10.065   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0      -8.098  -7.755   0.000  0.00  0.00           N+0
HETATM    6  O   UNK     0      -8.098  -6.215   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -6.764  -8.525   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.430  -7.755   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.097  -8.525   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.763  -7.755   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.429  -8.525   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -0.096  -7.755   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       1.238  -8.525   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.238 -10.065   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.572  -7.755   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.572  -6.215   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.905  -5.445   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.239  -6.215   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0       3.905  -3.905   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0       2.572  -3.135   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.239  -3.135   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.239  -1.595   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.573  -0.825   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.573   0.715   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.906   1.485   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       7.906   3.025   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       9.240   3.795   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      10.574   3.025   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.574   6.105   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.907   5.335   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      11.907   3.795   0.000  0.00  0.00           O+0
HETATM   33  N   UNK     0      13.241   6.105   0.000  0.00  0.00           N+0
HETATM   34  O   UNK     0      13.241   7.645   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      14.575   5.335   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.908   6.105   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      17.242   5.335   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      18.576   6.105   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      19.909   5.335   0.000  0.00  0.00           C+0
HETATM   40  N   UNK     0      21.243   6.105   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    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   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

View in JSmol

Synonyms

Value	Source
3-[(5-Aminopentyl)(hydroxy)carbamoyl]-N-[5-(N-hydroxy-3-{[5-(N-hydroxypropanamido)pentyl]-C-hydroxycarbonimidoyl}propanamido)pentyl]propanimidate	Generator

Chemical Formula

C₂₆H₅₀N₆O₈

Average Mass

574.7200 Da

Monoisotopic Mass

574.36901 Da

IUPAC Name

3-[(5-aminopentyl)(hydroxy)carbamoyl]-N-[5-(N-hydroxy-3-{[5-(N-hydroxypropanamido)pentyl]-C-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid

Traditional Name

3-[(5-aminopentyl)(hydroxy)carbamoyl]-N-[5-(N-hydroxy-3-{[5-(N-hydroxypropanamido)pentyl]-C-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid

CAS Registry Number

Not Available

SMILES

CCC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN

InChI Identifier

InChI=1S/C26H50N6O8/c1-2-24(35)30(38)19-10-4-7-17-28-23(34)13-15-26(37)32(40)21-11-5-8-18-29-22(33)12-14-25(36)31(39)20-9-3-6-16-27/h38-40H,2-21,27H2,1H3,(H,28,34)(H,29,33)

InChI Key

VMOMXMCMDBGRMY-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 venezuelae	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

N-acyl amines

Alternative Parents

Substituents

N-acyl-amine
Secondary carboxylic acid amide
Hydroxamic acid
Carboxamide group
Amino acid or derivatives
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
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	-3.1	ChemAxon
pKa (Strongest Acidic)	6.15	ChemAxon
pKa (Strongest Basic)	10.23	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	212.82 Å²	ChemAxon
Rotatable Bond Count	24	ChemAxon
Refractivity	150.62 m³·mol⁻¹	ChemAxon
Polarizability	65.35 Å³	ChemAxon
Number of Rings	0	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

162369620

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-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid (NP0251532)

MOL for NP0251532 (3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid)

3D MOL for NP0251532 (3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid)

3D SDF for NP0251532 (3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid)

3D-SDF for NP0251532 (3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid)

PDB for NP0251532 (3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid)

3D PDB for NP0251532 (3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid)

SMILES for NP0251532 (3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid)

INCHI for NP0251532 (3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid)

Structure for NP0251532 (3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid)

3D Structure for NP0251532 (3-[(5-aminopentyl)(hydroxy)carbamoyl]-n-[5-(n-hydroxy-3-{[5-(n-hydroxypropanamido)pentyl]-c-hydroxycarbonimidoyl}propanamido)pentyl]propanimidic acid)