NP-MRD: Showing NP-Card for [(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid (NP0229597)

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Record Information

Version

2.0

Created at

2022-09-06 09:44:05 UTC

Updated at

2022-09-06 09:44:05 UTC

NP-MRD ID

NP0229597

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid

Description

Miharamycin B 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,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid is found in Streptomyces miharaensis. [(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid was first documented in 2008 (PMID: 18833553). Based on a literature review very few articles have been published on Miharamycin B (PMID: 35606651).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062211442D          

 38 41  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
   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
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   18.3964   -1.1838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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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  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  8 10  1  0  0  0  0
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 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 17 37  1  0  0  0  0
 37 38  1  6  0  0  0
M  END

     RDKit          3D

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309062211442D          

 38 41  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
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   11.0730   -2.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  4  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 13  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 23 29  1  0  0  0  0
 20 29  1  0  0  0  0
 19 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 17 37  1  0  0  0  0
 37 38  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0229597

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H30N10O8/c21-7(2-1-3-25-18(22)23)15(33)28-10(17(34)35)11-12(32)20(36)9(31)5-37-13(20)16(38-11)30-6-27-8-4-26-19(24)29-14(8)30/h4,6-7,9-13,16,31-32,36H,1-3,5,21H2,(H,28,33)(H,34,35)(H4,22,23,25)(H2,24,26,29)/t7?,9-,10?,11+,12+,13-,16+,20-/m0/s1

> <INCHI_KEY>
JOTXNJQBWBCEHD-TVGXWQJGSA-N

> <FORMULA>
C20H30N10O8

> <MOLECULAR_WEIGHT>
538.522

> <EXACT_MASS>
538.224807966

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
51.85682374578063

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(3S,3aS,4R,5R,7R,7aR)-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-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid

> <JCHEM_LOGP>
-8.414309178988526

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
3.5267216118524014

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.83601568977115

> <JCHEM_PKA_STRONGEST_BASIC>
12.210862236530392

> <JCHEM_POLAR_SURFACE_AREA>
300.8

> <JCHEM_REFRACTIVITY>
146.55710000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(3S,3aS,4R,5R,7R,7aR)-3,3a,4-trihydroxy-7-(2-imino-1H-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-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  C   UNK     0      19.336  -4.062   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      20.670  -4.832   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      22.003  -4.062   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      23.337  -4.832   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      23.337  -6.372   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      24.671  -4.062   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      24.671  -2.522   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      26.004  -4.832   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      27.338  -4.062   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      27.338  -2.522   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      28.672  -1.752   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      26.004  -1.752   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      28.672  -4.832   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      30.005  -4.062   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      31.339  -4.832   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      32.673  -4.062   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      32.834  -2.530   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      34.340  -2.210   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      35.110  -3.544   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      36.616  -3.864   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      37.092  -5.328   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      36.062  -6.473   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      36.538  -7.937   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0      34.555  -6.153   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      34.080  -4.688   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      31.339  -6.372   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      32.483  -7.402   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      31.857  -8.809   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      30.325  -8.648   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      29.295  -9.792   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      30.005  -7.142   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      28.759  -8.047   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      28.672  -6.372   0.000  0.00  0.00           C+0
HETATM   38  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                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   13   18   37                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   30                                                  
CONECT   20   19   21   29                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   29                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   23   20                                                  
CONECT   30   19   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   30   36   37                                             
CONECT   36   35                                                            
CONECT   37   35   17   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₀N₁₀O₈

Average Mass

538.5220 Da

Monoisotopic Mass

538.22481 Da

IUPAC Name

2-[(3S,3aS,4R,5R,7R,7aR)-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-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid

Traditional Name

[(3S,3aS,4R,5R,7R,7aR)-3,3a,4-trihydroxy-7-(2-imino-1H-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid

CAS Registry Number

Not Available

SMILES

NC(CCCNC(N)=N)C(O)=NC([C@H]1O[C@H]([C@@H]2OC[C@H](O)[C@]2(O)[C@@H]1O)N1C=NC2=CNC(=N)N=C12)C(O)=O

InChI Identifier

InChI=1S/C20H30N10O8/c21-7(2-1-3-25-18(22)23)15(33)28-10(17(34)35)11-12(32)20(36)9(31)5-37-13(20)16(38-11)30-6-27-8-4-26-19(24)29-14(8)30/h4,6-7,9-13,16,31-32,36H,1-3,5,21H2,(H,28,33)(H,34,35)(H4,22,23,25)(H2,24,26,29)/t7?,9-,10?,11+,12+,13-,16+,20-/m0/s1

InChI Key

JOTXNJQBWBCEHD-TVGXWQJGSA-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
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
Purine
Furopyran
Imidazopyrimidine
Aminopyrimidine
Amino saccharide
Fatty amide
Fatty acyl
Oxane
N-acyl-amine
N-substituted imidazole
Pyran
Pyrimidine
Heteroaromatic compound
Azole
Oxolane
Furan
Imidazole
Tertiary alcohol
Amino acid
Carboxamide group
Guanidine
Amino acid or derivatives
Secondary carboxylic acid amide
Secondary alcohol
Oxacycle
Azacycle
Carboxylic acid
Dialkyl ether
Ether
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Polyol
Monocarboxylic acid or derivatives
Amine
Organic oxide
Hydrocarbon derivative
Alcohol
Carbonyl group
Primary amine
Organic nitrogen compound
Primary aliphatic amine
Organic oxygen compound
Organooxygen compound
Organonitrogen 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	-8.4	ChemAxon
pKa (Strongest Acidic)	2.84	ChemAxon
pKa (Strongest Basic)	12.21	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	300.8 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	146.56 m³·mol⁻¹	ChemAxon
Polarizability	51.86 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

101986362

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

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 ]
Huang W, Fan S, Gao J, Luo S, Tang S, Liu J, Wang X: Total Synthesis of Complex Peptidyl Nucleoside Antibiotics: Asymmetric De Novo Syntheses of Miharamycin B and Its Biosynthetic Precursor. Angew Chem Int Ed Engl. 2022 Aug 1;61(31):e202204907. doi: 10.1002/anie.202204907. Epub 2022 Jun 21. [PubMed:35606651 ]
LOTUS database [Link]

Showing NP-Card for [(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid (NP0229597)

MOL for NP0229597 ([(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid)

3D MOL for NP0229597 ([(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid)

3D SDF for NP0229597 ([(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid)

3D-SDF for NP0229597 ([(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid)

PDB for NP0229597 ([(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid)

3D PDB for NP0229597 ([(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid)

SMILES for NP0229597 ([(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid)

INCHI for NP0229597 ([(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid)

Structure for NP0229597 ([(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid)

3D Structure for NP0229597 ([(3s,3as,4r,5r,7r,7ar)-3,3a,4-trihydroxy-7-(2-imino-1h-purin-9-yl)-hexahydrofuro[2,3-c]pyran-5-yl][(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]acetic acid)