NP-MRD: Showing NP-Card for 19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone (NP0265702)

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Record Information

Version

2.0

Created at

2022-09-08 09:46:55 UTC

Updated at

2022-09-08 09:46:56 UTC

NP-MRD ID

NP0265702

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone

Description

Hytramycin V 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. 19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone is found in Streptomyces hygroscopicus. Based on a literature review very few articles have been published on Hytramycin V.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082211462D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309082211462D          

 45 48  0  0  0  0            999 V2000
    7.5160   -2.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0991   -1.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2741   -1.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5071   -1.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0901   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4982    0.1850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3232    0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7401   -0.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7312    0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5562    0.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9642    1.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5473    2.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3848    2.2434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3142    1.6191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7223    2.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3867    2.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3053    3.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7134    3.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4803    3.0428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0723    2.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    3.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714    4.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2384    3.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8215    4.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9965    4.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5884    3.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6679    2.9347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8304    3.0325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0054    3.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2496    3.3582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5974    2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7724    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3643    1.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813    0.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9438    0.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0143    1.5984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6063    0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    0.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0232    0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6152   -0.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0321   -1.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7902   -0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8482    0.1747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2652   -0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8571   -1.2542    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 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
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 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  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 43 39  1  4  0  0  0
 43 44  2  0  0  0  0
  5 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0265702

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CC1N=C(O)C2CCCNN2C(=O)C(C)N(C)C(=O)C2CCCNN2C(=O)C2CCCNN2C(=O)C(N=C1O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H51N9O6/c1-17(2)16-20-25(40)35-24(18(3)4)30(45)39-23(12-9-15-33-39)29(44)38-22(11-8-14-32-38)28(43)36(6)19(5)27(42)37-21(26(41)34-20)10-7-13-31-37/h17-24,31-33H,7-16H2,1-6H3,(H,34,41)(H,35,40)

> <INCHI_KEY>
NYDALYAIISZVCH-UHFFFAOYSA-N

> <FORMULA>
C30H51N9O6

> <MOLECULAR_WEIGHT>
633.795

> <EXACT_MASS>
633.396230398

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
66.50500030335175

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(propan-2-yl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triaconta-19,22-diene-2,9,12,25-tetrone

> <JCHEM_LOGP>
-1.652340483331408

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.074795405386763

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.653575735589715

> <JCHEM_PKA_STRONGEST_BASIC>
5.279643571150736

> <JCHEM_POLAR_SURFACE_AREA>
182.51000000000002

> <JCHEM_REFRACTIVITY>
197.20570000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triaconta-19,22-diene-2,9,12,25-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      14.030  -4.989   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.252  -3.660   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.712  -3.670   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.013  -2.322   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.235  -0.993   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      13.997   0.345   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      15.537   0.355   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      16.315  -0.974   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      16.298   1.693   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.838   1.703   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      18.600   3.041   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      17.822   4.370   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      15.652   4.188   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      15.520   3.022   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      16.282   4.361   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      17.522   5.274   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      15.503   5.690   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.265   7.028   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      13.963   5.680   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      13.202   4.341   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.185   7.009   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      13.947   8.347   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      11.645   6.999   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.867   8.328   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.327   8.318   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.565   6.980   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       8.713   5.478   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0      10.883   5.661   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       9.343   5.651   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       7.933   6.269   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.582   4.313   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.042   4.303   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.280   2.965   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.058   1.636   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       9.228   1.818   0.000  0.00  0.00           N+0
HETATM   36  N   UNK     0       9.360   2.984   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0       8.598   1.645   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       7.358   0.732   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       9.377   0.316   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.615  -1.022   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.393  -2.351   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.075  -1.032   0.000  0.00  0.00           C+0
HETATM   43  N   UNK     0      10.917   0.326   0.000  0.00  0.00           N+0
HETATM   44  C   UNK     0      11.695  -1.003   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      10.933  -2.341   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   44                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9   15                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   23   29                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   31   37                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   43                                                  
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
CONECT   43   39   44                                                       
CONECT   44   43    5   45                                                  
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₅₁N₉O₆

Average Mass

633.7950 Da

Monoisotopic Mass

633.39623 Da

IUPAC Name

19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(propan-2-yl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triaconta-19,22-diene-2,9,12,25-tetrone

Traditional Name

19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triaconta-19,22-diene-2,9,12,25-tetrone

CAS Registry Number

Not Available

SMILES

CC(C)CC1N=C(O)C2CCCNN2C(=O)C(C)N(C)C(=O)C2CCCNN2C(=O)C2CCCNN2C(=O)C(N=C1O)C(C)C

InChI Identifier

InChI=1S/C30H51N9O6/c1-17(2)16-20-25(40)35-24(18(3)4)30(45)39-23(12-9-15-33-39)29(44)38-22(11-8-14-32-38)28(43)36(6)19(5)27(42)37-21(26(41)34-20)10-7-13-31-37/h17-24,31-33H,7-16H2,1-6H3,(H,34,41)(H,35,40)

InChI Key

NYDALYAIISZVCH-UHFFFAOYSA-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 hygroscopicus	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
Macrolactam
Alpha-amino acid or derivatives
1,2-diazinane
Tertiary carboxylic acid amide
Carboxamide group
Carboxylic acid hydrazide
Lactam
Secondary carboxylic acid amide
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	-1.7	ChemAxon
pKa (Strongest Acidic)	3.65	ChemAxon
pKa (Strongest Basic)	5.28	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	182.51 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	197.21 m³·mol⁻¹	ChemAxon
Polarizability	66.51 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	No	ChemAxon

External Links

HMDB ID

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

34556349

KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

86576275

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone (NP0265702)

MOL for NP0265702 (19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone)

3D MOL for NP0265702 (19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone)

3D SDF for NP0265702 (19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone)

3D-SDF for NP0265702 (19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone)

PDB for NP0265702 (19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone)

3D PDB for NP0265702 (19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone)

SMILES for NP0265702 (19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone)

INCHI for NP0265702 (19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone)

Structure for NP0265702 (19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone)

3D Structure for NP0265702 (19,22-dihydroxy-24-isopropyl-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.0³,⁸.0¹³,¹⁸]triaconta-19,22-diene-2,9,12,25-tetrone)