NP-MRD: Showing NP-Card for n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid (NP0284593)

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Record Information

Version

2.0

Created at

2022-09-09 12:21:58 UTC

Updated at

2022-09-09 12:21:58 UTC

NP-MRD ID

NP0284593

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid

Description

ACon1_001965 belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid is found in Ziziphus spina-christi and Ziziphus xylopyrus. Based on a literature review very few articles have been published on ACon1_001965.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092214212D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309092214212D          

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    3.9170   -0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0988   -0.6113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982   -1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158   -2.0285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7800   -1.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2937   -1.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4734   -1.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0129   -2.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8332   -2.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1672   -1.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6810   -0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1393   -0.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966   -0.3441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730   -0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567    0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    0.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6732    1.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9277    2.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613    1.5515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4569    1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9576    1.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7745    2.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5927    2.5242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    3.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4097    3.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7285    3.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2291    2.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0461    4.1528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8643    4.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5455    4.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    3.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5915    3.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5443    2.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460    1.6729    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  4  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 22 14  1  4  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 33 32  1  4  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 32 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 26 44  1  0  0  0  0
  6 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0284593

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2OC3CCN(C3C(O)=NC(CC3=CC=CC=C3)C(O)=N\C=C/C1=C2)C(=O)C(N=C(O)C(C)N(C)C)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C33H43N5O6/c1-20(2)28(36-30(39)21(3)37(4)5)33(42)38-17-15-27-29(38)32(41)35-25(18-22-10-8-7-9-11-22)31(40)34-16-14-23-19-24(44-27)12-13-26(23)43-6/h7-14,16,19-21,25,27-29H,15,17-18H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)/b16-14-

> <INCHI_KEY>
KLYKBXVHBJWDJF-PEZBUJJGSA-N

> <FORMULA>
C33H43N5O6

> <MOLECULAR_WEIGHT>
605.736

> <EXACT_MASS>
605.321334125

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
63.45118840417408

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-{1-[(13Z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0^{3,7}]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid

> <JCHEM_LOGP>
-3.4383078578814326

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
-5.052286803742576

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.309467583480353

> <JCHEM_PKA_STRONGEST_BASIC>
14.940050662333388

> <JCHEM_POLAR_SURFACE_AREA>
139.78

> <JCHEM_REFRACTIVITY>
167.49020000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-{1-[(13Z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0^{3,7}]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      10.708   0.913   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.115   2.334   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       8.588   2.531   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.995   3.952   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.468   4.150   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.533   2.926   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.126   1.504   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.653   1.307   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.246  -0.114   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.312  -1.338   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       5.784  -1.141   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       4.850  -2.365   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.443  -3.787   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.323  -2.168   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.415  -3.412   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.884  -3.248   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.024  -4.492   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.555  -4.328   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.179  -2.920   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.271  -1.676   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.260  -1.840   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       2.607  -0.642   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       1.215   0.017   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -0.136  -0.721   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.413   1.545   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.926   1.829   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.123   3.356   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.732   4.016   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0       0.674   2.896   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      -0.853   3.093   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.787   1.869   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.446   4.515   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0      -2.973   4.712   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      -3.566   6.133   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -2.631   7.357   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -5.093   6.330   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -6.028   5.106   0.000  0.00  0.00           C+0
HETATM   38  N   UNK     0      -5.686   7.752   0.000  0.00  0.00           N+0
HETATM   39  C   UNK     0      -7.213   7.949   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -4.752   8.976   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.511   5.739   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -1.104   7.160   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       1.016   5.541   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       4.006   3.123   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   44                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   16                                                       
CONECT   22   14   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   29                                                  
CONECT   26   25   27   44                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   25   30                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   41                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   32   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   26    6                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₄₃N₅O₆

Average Mass

605.7360 Da

Monoisotopic Mass

605.32133 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC=C2OC3CCN(C3C(O)=NC(CC3=CC=CC=C3)C(O)=N\C=C/C1=C2)C(=O)C(N=C(O)C(C)N(C)C)C(C)C

InChI Identifier

InChI=1S/C33H43N5O6/c1-20(2)28(36-30(39)21(3)37(4)5)33(42)38-17-15-27-29(38)32(41)35-25(18-22-10-8-7-9-11-22)31(40)34-16-14-23-19-24(44-27)12-13-26(23)43-6/h7-14,16,19-21,25,27-29H,15,17-18H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)/b16-14-

InChI Key

KLYKBXVHBJWDJF-PEZBUJJGSA-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
Ziziphus spina-christi	LOTUS Database	35616633
Ziziphus xylopyrus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Cyclic alpha peptide
Valine or derivatives
Macrolactam
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alanine or derivatives
Alpha-amino acid or derivatives
N-acylpyrrolidine
Anisole
Phenol ether
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Tertiary carboxylic acid amide
Pyrrolidine
Tertiary amine
Carboxamide group
Tertiary aliphatic amine
Lactam
Amino acid or derivatives
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Oxacycle
Ether
Organic nitrogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Amine
Organic oxide
Organic oxygen 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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00055406

Chemspider ID

4518198

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5366317

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid (NP0284593)

MOL for NP0284593 (n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid)

3D MOL for NP0284593 (n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid)

3D SDF for NP0284593 (n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid)

3D-SDF for NP0284593 (n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid)

PDB for NP0284593 (n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid)

3D PDB for NP0284593 (n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid)

SMILES for NP0284593 (n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid)

INCHI for NP0284593 (n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid)

Structure for NP0284593 (n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid)

3D Structure for NP0284593 (n-{1-[(13z)-10-benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propanimidic acid)