NP-MRD: Showing NP-Card for 6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione (NP0331072)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

1.0

Created at

2022-09-12 17:03:30 UTC

Updated at

2022-09-12 17:03:30 UTC

NP-MRD ID

NP0331072

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione

Description

6-Benzyl-3-(butan-2-yl)-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Based on a literature review very few articles have been published on 6-benzyl-3-(butan-2-yl)-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309122219032D          

 38 39  0  0  0  0            999 V2000
   -2.1434    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6585    4.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0573    4.3799    0.0000 C   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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  4  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 27 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
  5 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END


  Mrv1652309122219032D          

 38 39  0  0  0  0            999 V2000
   -2.1434    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6585    4.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0573    4.3799    0.0000 C   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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  4  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 27 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
  5 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0331072

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1N(C)C(=O)C(CC2=CC=CC=C2)N=C(O)C(C)C(O)CC(OC1=O)C(C)CCCCC(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C30H48N2O6/c1-7-19(2)27-30(37)38-26(20(3)13-11-12-14-21(4)33)18-25(34)22(5)28(35)31-24(29(36)32(27)6)17-23-15-9-8-10-16-23/h8-10,15-16,19-22,24-27,33-34H,7,11-14,17-18H2,1-6H3,(H,31,35)

> <INCHI_KEY>
CBHIZUMFCYMQFI-UHFFFAOYSA-N

> <FORMULA>
C30H48N2O6

> <MOLECULAR_WEIGHT>
532.722

> <EXACT_MASS>
532.351237274

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
60.18125424986156

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-benzyl-3-(butan-2-yl)-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione

> <JCHEM_LOGP>
4.854374941999998

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.892337692981386

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.383298689847111

> <JCHEM_PKA_STRONGEST_BASIC>
1.7803413481729298

> <JCHEM_POLAR_SURFACE_AREA>
119.66000000000001

> <JCHEM_REFRACTIVITY>
147.3502

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.001  10.010   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.335   7.700   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.668   8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.096   8.176   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -2.667   6.160   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.000   4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -8.002   1.540   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0      -6.668   3.850   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -9.336   3.850   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -10.669   4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -12.003   3.850   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -13.337   4.620   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -13.337   6.160   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -12.003   6.930   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -10.669   6.160   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -8.002   6.160   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -9.336   6.930   0.000  0.00  0.00           O+0
HETATM   37  N   UNK     0      -6.668   6.930   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0      -7.574   8.176   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   37                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   19                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19    9   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   35                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   27   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35    5   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₈N₂O₆

Average Mass

532.7220 Da

Monoisotopic Mass

532.35124 Da

IUPAC Name

6-benzyl-3-(butan-2-yl)-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione

Traditional Name

6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione

CAS Registry Number

Not Available

SMILES

CCC(C)C1N(C)C(=O)C(CC2=CC=CC=C2)N=C(O)C(C)C(O)CC(OC1=O)C(C)CCCCC(C)O

InChI Identifier

InChI=1S/C30H48N2O6/c1-7-19(2)27-30(37)38-26(20(3)13-11-12-14-21(4)33)18-25(34)22(5)28(35)31-24(29(36)32(27)6)17-23-15-9-8-10-16-23/h8-10,15-16,19-22,24-27,33-34H,7,11-14,17-18H2,1-6H3,(H,31,35)

InChI Key

CBHIZUMFCYMQFI-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Depsipeptides

Direct Parent

Cyclic depsipeptides

Alternative Parents

Substituents

Cyclic depsipeptide
Macrolide lactam
Macrolide
Macrolactam
Alpha-amino acid ester
Alpha-amino acid or derivatives
Benzenoid
Monocyclic benzene moiety
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Secondary alcohol
Lactone
Lactam
Carboxylic acid ester
Carboxamide group
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	4.85	ChemAxon
pKa (Strongest Acidic)	5.38	ChemAxon
pKa (Strongest Basic)	1.78	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	119.66 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	147.35 m³·mol⁻¹	ChemAxon
Polarizability	60.18 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162814276

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione (NP0331072)

MOL for NP0331072 (6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione)

3D MOL for NP0331072 (6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione)

3D SDF for NP0331072 (6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione)

3D-SDF for NP0331072 (6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione)

PDB for NP0331072 (6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione)

3D PDB for NP0331072 (6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione)

SMILES for NP0331072 (6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione)

INCHI for NP0331072 (6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione)

Structure for NP0331072 (6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione)

3D Structure for NP0331072 (6-benzyl-8,10-dihydroxy-12-(7-hydroxyoctan-2-yl)-4,9-dimethyl-3-(sec-butyl)-1-oxa-4,7-diazacyclododec-7-ene-2,5-dione)