NP-MRD: Showing NP-Card for [(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid (NP0251706)

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Record Information

Version

1.0

Created at

2022-09-07 14:58:35 UTC

Updated at

2022-09-07 14:58:35 UTC

NP-MRD ID

NP0251706

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid

Description

Miharamycin A belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. [(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid is found in Streptomyces miharaensis. It was first documented in 2008 (PMID: 18833553). Based on a literature review very few articles have been published on Miharamycin A (PMID: 33835677).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072216582D          

 39 42  0  0  1  0            999 V2000
    8.2151   -2.5883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9296   -2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9296   -1.3508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6440   -2.5883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6440   -3.4133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3585   -2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0730   -2.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7874   -2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5019   -2.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5019   -3.4133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2164   -2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2164   -1.3508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9309   -2.5883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6453   -2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6453   -1.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3598   -0.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9309   -0.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3598   -2.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0743   -2.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7887   -3.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4018   -3.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6938   -5.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4068   -4.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3598   -3.4133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6453   -3.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  9 10  1  0  0  0  0
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 36 37  1  1  0  0  0
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 18 38  1  0  0  0  0
 38 39  1  6  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072216582D          

 39 42  0  0  1  0            999 V2000
    8.2151   -2.5883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9296   -2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9296   -1.3508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6440   -2.5883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6440   -3.4133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  4  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  4  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 24 30  1  0  0  0  0
 21 30  1  0  0  0  0
 20 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 18 38  1  0  0  0  0
 38 39  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0251706

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC(CCCN(O)C(N)=N)C(O)=NC(C1O[C@H](C2OC[C@H](O)[C@]2(O)[C@@H]1O)N1C=NC2=CNC(=N)N=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H30N10O9/c21-7(2-1-3-30(37)18(22)23)15(33)27-10(17(34)35)11-12(32)20(36)9(31)5-38-13(20)16(39-11)29-6-26-8-4-25-19(24)28-14(8)29/h4,6-7,9-13,16,31-32,36-37H,1-3,5,21H2,(H3,22,23)(H,27,33)(H,34,35)(H2,24,25,28)/t7?,9-,10?,11?,12+,13?,16+,20-/m0/s1

> <INCHI_KEY>
QSPCQKVMQODSDN-SRDZCHFJSA-N

> <FORMULA>
C20H30N10O9

> <MOLECULAR_WEIGHT>
554.521

> <EXACT_MASS>
554.219722586

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
52.328333788777854

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(3S,3aS,4R,7R)-3,3a,4-trihydroxy-7-(2-imino-2,9-dihydro-1H-purin-9-yl)-hexahydro-2H-furo[2,3-c]pyran-5-yl]-2-{[2-amino-1-hydroxy-5-(N-hydroxycarbamimidamido)pentylidene]amino}acetic acid

> <JCHEM_LOGP>
-8.5289393823357

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
3.5103564256802287

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.8198991456880647

> <JCHEM_PKA_STRONGEST_BASIC>
9.816052048149356

> <JCHEM_POLAR_SURFACE_AREA>
312.24000000000007

> <JCHEM_REFRACTIVITY>
148.3217000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(3S,3aS,4R,7R)-3,3a,4-trihydroxy-7-(2-imino-1H-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(N-hydroxycarbamimidamido)pentylidene]amino})acetic 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      15.335  -4.832   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      16.669  -4.062   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      16.669  -2.522   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0      18.002  -4.832   0.000  0.00  0.00           N+0
HETATM    5  O   UNK     0      18.002  -6.372   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      19.336  -4.062   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      20.670  -4.832   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      22.003  -4.062   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      23.337  -4.832   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      23.337  -6.372   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      24.671  -4.062   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      24.671  -2.522   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0      26.004  -4.832   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      27.338  -4.062   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      27.338  -2.522   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      28.672  -1.752   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      26.004  -1.752   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      28.672  -4.832   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      30.005  -4.062   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      31.339  -4.832   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      32.673  -4.062   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      32.834  -2.530   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      34.340  -2.210   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0      35.110  -3.544   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      36.616  -3.864   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      37.092  -5.328   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      36.062  -6.473   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      36.538  -7.937   0.000  0.00  0.00           N+0
HETATM   29  N   UNK     0      34.555  -6.153   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      34.080  -4.688   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      31.339  -6.372   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      32.483  -7.402   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      31.857  -8.809   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      30.325  -8.648   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      29.295  -9.792   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      30.005  -7.142   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      28.759  -8.047   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      28.672  -6.372   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      27.338  -7.142   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   14   19   38                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   31                                                  
CONECT   21   20   22   30                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   30                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   24   21                                                  
CONECT   31   20   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   31   37   38                                             
CONECT   37   36                                                            
CONECT   38   36   18   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₀N₁₀O₉

Average Mass

554.5210 Da

Monoisotopic Mass

554.21972 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

NC(CCCN(O)C(N)=N)C(O)=NC(C1O[C@H](C2OC[C@H](O)[C@]2(O)[C@@H]1O)N1C=NC2=CNC(=N)N=C12)C(O)=O

InChI Identifier

InChI=1S/C20H30N10O9/c21-7(2-1-3-30(37)18(22)23)15(33)27-10(17(34)35)11-12(32)20(36)9(31)5-38-13(20)16(39-11)29-6-26-8-4-25-19(24)28-14(8)29/h4,6-7,9-13,16,31-32,36-37H,1-3,5,21H2,(H3,22,23)(H,27,33)(H,34,35)(H2,24,25,28)/t7?,9-,10?,11?,12+,13?,16+,20-/m0/s1

InChI Key

QSPCQKVMQODSDN-SRDZCHFJSA-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 miharaensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Arginine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Furopyran
Imidazopyrimidine
Purine
Aminopyrimidine
Amino saccharide
Fatty amide
N-acyl-amine
N-substituted imidazole
Oxane
Pyran
Pyrimidine
N-hydroxyguanidine
Fatty acyl
Azole
Furan
Imidazole
Tetrahydrofuran
Tertiary alcohol
Heteroaromatic compound
Secondary alcohol
Amino acid or derivatives
Guanidine
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Carboximidamide
Monocarboxylic acid or derivatives
Carboxylic acid
Dialkyl ether
Azacycle
Polyol
Organoheterocyclic compound
Ether
Oxacycle
Organopnictogen compound
Alcohol
Organic oxide
Imine
Primary aliphatic amine
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Amine
Primary amine
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

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

78445279

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139587352

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yu B, Wang S: Solving the Structural Puzzles of Amipurimycin and Miharamycins Enabled by Stereodivergent Total Synthesis. Chem Rec. 2021 Apr 9. doi: 10.1002/tcr.202100057. [PubMed:33835677 ]
Marcelo F, Jimenez-Barbero J, Marrot J, Rauter AP, Sinay P, Bleriot Y: Stereochemical assignment and first synthesis of the core of miharamycin antibiotics. Chemistry. 2008;14(32):10066-73. doi: 10.1002/chem.200801826. [PubMed:18833553 ]
LOTUS database [Link]

Showing NP-Card for [(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid (NP0251706)

MOL for NP0251706 ([(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid)

3D MOL for NP0251706 ([(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid)

3D SDF for NP0251706 ([(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid)

3D-SDF for NP0251706 ([(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid)

PDB for NP0251706 ([(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid)

3D PDB for NP0251706 ([(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid)

SMILES for NP0251706 ([(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid)

INCHI for NP0251706 ([(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid)

Structure for NP0251706 ([(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid)

3D Structure for NP0251706 ([(3s,3as,4r,7r)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl]({[2-amino-1-hydroxy-5-(n-hydroxycarbamimidamido)pentylidene]amino})acetic acid)