NP-MRD: Showing NP-Card for 19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 (NP0231447)

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Record Information

Version

2.0

Created at

2022-09-06 12:18:40 UTC

Updated at

2022-09-06 12:18:40 UTC

NP-MRD ID

NP0231447

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 I 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-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 I.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062214182D          

 46 49  0  0  0  0            999 V2000
    1.1891    0.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134    0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    0.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389    0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8627    1.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876    1.4319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0881    0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638    0.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3135   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8892   -0.7318    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
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  6  5  1  4  0  0  0
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  5 45  1  0  0  0  0
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M  END

     RDKit          3D

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 31 84  1  1
 32 85  1  0
 32 86  1  0
 33 87  1  0
 33 88  1  0
 34 89  1  0
 34 90  1  0
 35 91  1  0
 39 92  1  1
 40 93  1  0
 40 94  1  0
 41 95  1  0
 41 96  1  0
 42 97  1  0
 42 98  1  0
 43 99  1  0
M  END


  Mrv1652309062214182D          

 46 49  0  0  0  0            999 V2000
    1.1891    0.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134    0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    0.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389    0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8627    1.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876    1.4319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0881    0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638    0.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9130    0.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3135   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8892   -0.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897   -1.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0643   -0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3373    1.4044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622    1.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    0.6695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5866    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4115    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8358    2.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4353    3.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8620    3.7703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860    2.8194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6104    3.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2858    4.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2098    4.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6342    4.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3850    4.2619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9606    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9844    4.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4088    5.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    4.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    5.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    5.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5098    5.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1536    4.0516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352    4.2894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    4.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623    4.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    3.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6611    3.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367    2.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373    2.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055    1.9153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865    2.8744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    2.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867    1.6932    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  1  0  0  0  0
  3  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
 11 13  1  0  0  0  0
 14  9  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 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
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 39 44  1  0  0  0  0
 44 45  1  0  0  0  0
  5 45  1  0  0  0  0
 45 46  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0231447

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1N=C(O)C(CC(C)C)N=C(O)C2CCCNN2C(=O)C(C)N(C)C(=O)C2CCCNN2C(=O)C2CCCNN2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H53N9O6/c1-7-19(4)25-31(46)40-24(13-10-16-34-40)30(45)39-23(12-9-15-33-39)29(44)37(6)20(5)28(43)38-22(11-8-14-32-38)27(42)35-21(17-18(2)3)26(41)36-25/h18-25,32-34H,7-17H2,1-6H3,(H,35,42)(H,36,41)

> <INCHI_KEY>
AHVYNRPQGLJIJS-UHFFFAOYSA-N

> <FORMULA>
C31H53N9O6

> <MOLECULAR_WEIGHT>
647.822

> <EXACT_MASS>
647.411880463

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
99

> <JCHEM_AVERAGE_POLARIZABILITY>
67.88665348577865

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
24-(butan-2-yl)-19,22-dihydroxy-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_LOGP>
-1.1796074723245409

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.081909737600451

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6614084999209213

> <JCHEM_PKA_STRONGEST_BASIC>
5.294427199221351

> <JCHEM_POLAR_SURFACE_AREA>
182.51000000000002

> <JCHEM_REFRACTIVITY>
201.80669999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       2.220   0.083   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.012   1.404   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.552   1.378   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.299   0.032   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.344   2.699   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       6.883   2.673   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       7.631   1.327   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.839   0.006   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       9.171   1.301   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.919  -0.045   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.126  -1.366   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.874  -2.712   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.587  -1.340   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       9.963   2.622   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      11.503   2.596   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      12.250   1.250   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.295   3.917   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.835   3.891   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.627   5.212   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.879   6.558   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      12.809   7.038   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0      11.547   5.263   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      12.339   6.584   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      13.600   7.468   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      11.592   7.930   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.384   9.251   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      10.052   7.956   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       9.260   6.635   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.304   9.302   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      10.096  10.623   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       7.764   9.328   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.017  10.674   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.477  10.700   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.685   9.379   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       5.887   7.563   0.000  0.00  0.00           N+0
HETATM   36  N   UNK     0       6.972   8.007   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0       5.433   8.033   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       4.036   8.682   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       4.640   6.712   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.101   6.738   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       2.309   5.417   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.056   4.071   0.000  0.00  0.00           C+0
HETATM   43  N   UNK     0       5.050   3.575   0.000  0.00  0.00           N+0
HETATM   44  N   UNK     0       5.388   5.366   0.000  0.00  0.00           N+0
HETATM   45  C   UNK     0       4.596   4.045   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       3.335   3.161   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   45                                                  
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   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    9   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   17   23                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   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   44                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   39   45                                                  
CONECT   45   44    5   46                                                  
CONECT   46   45                                                            
MASTER        0    0    0    0    0    0    0    0   46    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₅₃N₉O₆

Average Mass

647.8220 Da

Monoisotopic Mass

647.41188 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCC(C)C1N=C(O)C(CC(C)C)N=C(O)C2CCCNN2C(=O)C(C)N(C)C(=O)C2CCCNN2C(=O)C2CCCNN2C1=O

InChI Identifier

InChI=1S/C31H53N9O6/c1-7-19(4)25-31(46)40-24(13-10-16-34-40)30(45)39-23(12-9-15-33-39)29(44)37(6)20(5)28(43)38-22(11-8-14-32-38)27(42)35-21(17-18(2)3)26(41)36-25/h18-25,32-34H,7-17H2,1-6H3,(H,35,42)(H,36,41)

InChI Key

AHVYNRPQGLJIJS-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

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

34556348

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

86576276

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 (NP0231447)

MOL for NP0231447 (19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 NP0231447 (19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 NP0231447 (19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 NP0231447 (19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 NP0231447 (19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 NP0231447 (19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 NP0231447 (19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 NP0231447 (19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 NP0231447 (19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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 NP0231447 (19,22-dihydroxy-10,11-dimethyl-21-(2-methylpropyl)-24-(sec-butyl)-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)