NP-MRD: Showing NP-Card for 4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid (NP0241575)

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Record Information

Version

2.0

Created at

2022-09-07 01:41:49 UTC

Updated at

2022-09-07 01:41:49 UTC

NP-MRD ID

NP0241575

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid

Description

DivK1c_000467 belongs to the class of organic compounds known as 4,5-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that are glycosidically linked to a pyranose of furanose unit at the C4- and C5-positions. Based on a literature review very few articles have been published on DivK1c_000467.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072203412D          

 38 40  0  0  1  0            999 V2000
    1.3222    4.7652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.8777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.0527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1801    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.1848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8946   -0.5973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -0.5973    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4656   -1.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -1.8348    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8946   -1.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -1.8348    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3235   -1.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -0.5973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -2.6598    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3235   -3.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -3.0723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8946   -3.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -2.6598    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4656   -3.0723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.1848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.5986   -4.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0367    1.0527    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
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  4  5  1  0  0  0  0
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  6  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
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 13 14  1  1  0  0  0
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 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
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 24 25  1  1  0  0  0
 13 26  1  0  0  0  0
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 28 35  1  0  0  0  0
 35 36  1  1  0  0  0
 26 37  1  0  0  0  0
  9 37  1  0  0  0  0
 37 38  1  1  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072203412D          

 38 40  0  0  1  0            999 V2000
    1.3222    4.7652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.8777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7512   -0.1848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.9341   -3.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -4.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.6919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1393   -3.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.9072    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5846   -1.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.6402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0367    1.0527    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
  4  6  1  0  0  0  0
  6  7  1  4  0  0  0
  6  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  1  0  0  0
 13 26  1  0  0  0  0
 26 27  1  6  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  6  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 28 35  1  0  0  0  0
 35 36  1  1  0  0  0
 26 37  1  0  0  0  0
  9 37  1  0  0  0  0
 37 38  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0241575

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NCCC(O)C(O)=N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](OC2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21?/m0/s1

> <INCHI_KEY>
XEQLFNPSYWZPOW-WAOLLCQZSA-N

> <FORMULA>
C21H41N5O12

> <MOLECULAR_WEIGHT>
555.582

> <EXACT_MASS>
555.27517178

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
55.249577453906376

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-{[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid

> <JCHEM_LOGP>
-9.727779049175519

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
4

> <JCHEM_PKA>
12.280986668224966

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7861974473329454

> <JCHEM_PKA_STRONGEST_BASIC>
9.99663301630183

> <JCHEM_POLAR_SURFACE_AREA>
315.2

> <JCHEM_REFRACTIVITY>
124.40020000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-{[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic 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  N   UNK     0       2.468   8.895   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       3.802   8.125   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.802   6.585   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.136   5.815   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.469   6.585   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       5.136   4.275   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.802   3.505   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       6.469   3.505   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       6.469   1.965   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.803   1.195   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.803  -0.345   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       9.137  -1.115   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       6.469  -1.115   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.469  -2.655   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       7.803  -3.425   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.137  -2.655   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      10.470  -3.425   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.804  -2.655   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      11.804  -1.115   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      10.470  -4.965   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      11.804  -5.735   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.137  -5.735   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       9.137  -7.275   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.803  -4.965   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       6.469  -5.735   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       5.136  -0.345   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       3.802  -1.115   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       3.802  -2.655   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       5.048  -3.560   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.572  -5.025   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.477  -6.271   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       4.851  -7.678   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       3.032  -5.025   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.127  -6.271   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.556  -3.560   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.091  -3.084   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.136   1.195   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       3.802   1.965   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   37                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   26                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   15   25                                                  
CONECT   25   24                                                            
CONECT   26   13   27   37                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   35                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   28   36                                                  
CONECT   36   35                                                            
CONECT   37   26    9   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₄₁N₅O₁₂

Average Mass

555.5820 Da

Monoisotopic Mass

555.27517 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

NCCC(O)C(O)=N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](OC2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O

InChI Identifier

InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21?/m0/s1

InChI Key

XEQLFNPSYWZPOW-WAOLLCQZSA-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 4,5-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that are glycosidically linked to a pyranose of furanose unit at the C4- and C5-positions.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

4,5-disubstituted 2-deoxystreptamines

Alternative Parents

Substituents

4,5-disubstituted 2-deoxystreptamine
Gamma amino acid or derivatives
O-glycosyl compound
Glycosyl compound
Aminocyclitol or derivatives
Cyclohexylamine
Cyclohexanol
Fatty acyl
Oxane
N-acyl-amine
Monosaccharide
Fatty amide
Cyclitol or derivatives
Tetrahydrofuran
Cyclic alcohol
1,3-aminoalcohol
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Amino acid or derivatives
1,2-aminoalcohol
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Primary alcohol
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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

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

4642526

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5702150

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid (NP0241575)

MOL for NP0241575 (4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid)

3D MOL for NP0241575 (4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid)

3D SDF for NP0241575 (4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid)

3D-SDF for NP0241575 (4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid)

PDB for NP0241575 (4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid)

3D PDB for NP0241575 (4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid)

SMILES for NP0241575 (4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid)

INCHI for NP0241575 (4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid)

Structure for NP0241575 (4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid)

3D Structure for NP0241575 (4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-{[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-{[(3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanimidic acid)