NP-MRD: Showing NP-Card for (6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one (NP0282639)

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Record Information

Version

2.0

Created at

2022-09-09 09:32:57 UTC

Updated at

2022-09-09 09:32:57 UTC

NP-MRD ID

NP0282639

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

Description

Cyclo[glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-(betaR)-beta-hydroxy-3-(3-methyl-2-butenyl)-L-tyrosyl] belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. (6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one is found in Aspergillus flavipes. Based on a literature review very few articles have been published on cyclo[glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-(betaR)-beta-hydroxy-3-(3-methyl-2-butenyl)-L-tyrosyl].

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092211322D          

 58 62  0  0  1  0            999 V2000
    8.8684    8.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1602    8.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1725    7.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4396    8.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7314    8.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0108    8.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026    8.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820    8.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738    8.4925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1533    8.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8862    7.6676    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1779    7.2444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5253    7.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6360    8.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7619    7.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 11  9  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  1  0  0  0
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 23 24  2  0  0  0  0
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 24 26  1  0  0  0  0
 27 26  1  4  0  0  0
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 30 31  1  0  0  0  0
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 35 37  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309092211322D          

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  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 11  9  1  1  0  0  0
 11 12  1  0  0  0  0
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 35 36  2  0  0  0  0
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 37 38  1  1  0  0  0
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 11 53  1  0  0  0  0
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 56 57  2  0  0  0  0
  6 57  1  0  0  0  0
 57 58  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0282639

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@@H]1N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)CN=C(O)[C@@H](N=C(O)CN=C1O)[C@H](O)C1=CC=C(O)C(CC=C(C)C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30-,35-,36-,37+/m0/s1

> <INCHI_KEY>
BNPYZZVTLFIGQT-FAWZPQLUSA-N

> <FORMULA>
C41H52N8O9

> <MOLECULAR_WEIGHT>
800.914

> <EXACT_MASS>
800.385725286

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
110

> <JCHEM_AVERAGE_POLARIZABILITY>
84.30006767916441

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6S,12S,18S,23aS)-1,4,7,10,13,16-hexahydroxy-12-{hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-18-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)-3H,6H,9H,12H,15H,18H,19H,21H,22H,23H,23aH-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.40848396049847

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.8615236339436354

> <JCHEM_PKA_STRONGEST_BASIC>
1.8405110827968363

> <JCHEM_POLAR_SURFACE_AREA>
272.0999999999999

> <JCHEM_REFRACTIVITY>
215.17070000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6S,12S,18S,23aS)-1,4,7,10,13,16-hexahydroxy-12-{hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-18-(1H-indol-3-ylmethyl)-6-isopropyl-3H,6H,9H,12H,15H,18H,21H,22H,23H,23aH-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one

> <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      16.554  16.762   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      15.232  15.972   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.255  14.433   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.887  16.722   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.565  15.932   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.220  16.682   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.898  15.893   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.553  16.643   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.231  15.853   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.886  16.603   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.254  14.313   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       5.932  13.523   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       4.714  14.465   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.921  15.991   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.289  13.881   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       3.082  12.355   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       1.586  11.990   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.522  13.103   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.154  10.512   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.342  10.147   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.774   8.668   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.406  11.260   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       2.218   9.399   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       1.571   8.001   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.037   7.863   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.458   6.742   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       3.991   6.880   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       4.680   5.503   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       3.832   4.217   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       6.218   5.411   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.178   4.207   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.619   4.748   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.382   5.884   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0       7.066   6.696   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       8.572   6.376   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       9.477   5.130   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       9.603   7.520   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      11.109   7.200   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      11.585   5.735   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.680   4.489   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0      11.585   3.243   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      13.050   3.719   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      14.383   2.949   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      15.717   3.719   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      15.717   5.259   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      14.383   6.029   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      13.050   5.259   0.000  0.00  0.00           C+0
HETATM   48  N   UNK     0       9.127   8.985   0.000  0.00  0.00           N+0
HETATM   49  C   UNK     0      10.316   9.963   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      11.758   9.422   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      10.064  11.482   0.000  0.00  0.00           C+0
HETATM   52  N   UNK     0       8.622  12.023   0.000  0.00  0.00           N+0
HETATM   53  C   UNK     0       8.599  13.563   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       9.921  14.353   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0       8.530  18.182   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       9.852  18.972   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      11.197  18.222   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0      12.519  19.012   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   57                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   55                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   53                                                  
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   23                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   19   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   30   35                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   48                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   47                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   47                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   39   42                                                  
CONECT   48   37   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   11   54                                                  
CONECT   54   53                                                            
CONECT   55    8   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56    6   58                                                  
CONECT   58   57                                                            
MASTER        0    0    0    0    0    0    0    0   58    0  124    0
END

View in JSmol

Synonyms

Value	Source
Cyclo[glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-(betar)-b-hydroxy-3-(3-methyl-2-butenyl)-L-tyrosyl]	Generator
Cyclo[glycyl-L-tryptophyl-L-prolylglycyl-L-valylglycyl-(betar)-β-hydroxy-3-(3-methyl-2-butenyl)-L-tyrosyl]	Generator

Chemical Formula

C₄₁H₅₂N₈O₉

Average Mass

800.9140 Da

Monoisotopic Mass

800.38573 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)[C@@H]1N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)CN=C(O)[C@@H](N=C(O)CN=C1O)[C@H](O)C1=CC=C(O)C(CC=C(C)C)=C1

InChI Identifier

InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30-,35-,36-,37+/m0/s1

InChI Key

BNPYZZVTLFIGQT-FAWZPQLUSA-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
Aspergillus flavipes	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Cyclic peptides

Alternative Parents

Substituents

Cyclic alpha peptide
3-alkylindole
Alpha-amino acid or derivatives
Indole or derivatives
Indole
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Substituted pyrrole
Monocyclic benzene moiety
Heteroaromatic compound
Cyclic carboximidic acid
Tertiary carboxylic acid amide
Pyrrolidine
Pyrrole
Secondary alcohol
Lactam
Carboxamide group
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Aromatic alcohol
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
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

103835338

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

156588942

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one (NP0282639)

MOL for NP0282639 ((6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one)

3D MOL for NP0282639 ((6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one)

3D SDF for NP0282639 ((6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one)

3D-SDF for NP0282639 ((6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one)

PDB for NP0282639 ((6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one)

3D PDB for NP0282639 ((6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one)

SMILES for NP0282639 ((6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one)

INCHI for NP0282639 ((6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one)

Structure for NP0282639 ((6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one)

3D Structure for NP0282639 ((6s,12s,18s,23as)-1,4,7,10,13,16-hexahydroxy-12-[(r)-hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl]-18-(1h-indol-3-ylmethyl)-6-isopropyl-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one)