NP-MRD: Showing NP-Card for (2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone (NP0302091)

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Record Information

Version

2.0

Created at

2022-09-10 15:26:12 UTC

Updated at

2022-09-10 15:26:12 UTC

NP-MRD ID

NP0302091

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone

Description

Vicibactin-7101 belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. (2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone is found in Rhizobium etli and Rhizobium leguminosarum. Based on a literature review very few articles have been published on Vicibactin-7101.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102217262D          

 45 45  0  0  1  0            999 V2000
    5.0185    2.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309102217262D          

 45 45  0  0  1  0            999 V2000
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    5.9173    4.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667    5.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2918    3.6423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1157    3.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    2.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2169    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7675    1.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    0.7883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9659    0.7451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6926    0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688    0.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671   -0.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6177   -1.3305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7939   -1.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9922   -2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5428   -2.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190   -2.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9173   -3.4926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7412   -3.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -4.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -4.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1947   -4.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708   -4.7899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9214   -5.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -4.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -4.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457   -3.3629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712   -2.6278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2474   -2.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5206   -1.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1461   -1.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3223   -1.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955   -0.5089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4194   -0.5522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    0.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704    0.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2959    1.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7453    2.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5692    2.3018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5469    3.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    3.7720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  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
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  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  1  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  6  0  0  0
 41 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
  2 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0302091

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1CC(=O)N(O)CCC[C@@H](N)C(=O)O[C@H](C)CC(=O)N(O)CCC[C@@H](N)C(=O)O[C@H](C)CC(=O)N(O)CCC[C@@H](N)C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C27H48N6O12/c1-16-13-22(34)31(40)10-5-8-20(29)26(38)44-18(3)15-24(36)33(42)12-6-9-21(30)27(39)45-17(2)14-23(35)32(41)11-4-7-19(28)25(37)43-16/h16-21,40-42H,4-15,28-30H2,1-3H3/t16-,17-,18-,19-,20-,21-/m1/s1

> <INCHI_KEY>
QKQHATWRIIIRSS-UCGFNCKJSA-N

> <FORMULA>
C27H48N6O12

> <MOLECULAR_WEIGHT>
648.711

> <EXACT_MASS>
648.33302101

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
93

> <JCHEM_AVERAGE_POLARIZABILITY>
66.92122224313326

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,9R,12R,19R,22R,29R)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone

> <JCHEM_LOGP>
-3.1089260415976514

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
8.414142186534967

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.006030500935074

> <JCHEM_PKA_STRONGEST_BASIC>
7.461506635584473

> <JCHEM_POLAR_SURFACE_AREA>
278.58

> <JCHEM_REFRACTIVITY>
155.23530000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,9R,12R,19R,22R,29R)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0       9.368   5.588   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.669   6.960   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.508   8.252   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.046   8.171   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      11.884   9.463   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      11.745   6.799   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0      13.283   6.718   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.906   5.507   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.605   4.135   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.766   2.844   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.465   1.472   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      13.003   1.391   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      10.626   0.180   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.088   0.261   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      11.325  -1.192   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      10.486  -2.484   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.949  -2.403   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.185  -3.856   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.347  -5.147   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.809  -5.067   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0      11.046  -6.520   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0      12.584  -6.600   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      10.207  -7.811   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.669  -7.730   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.830  -9.022   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.292  -8.941   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       5.453 -10.233   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       5.593  -7.569   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.055  -7.488   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       6.432  -6.277   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.733  -4.905   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.195  -4.824   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.572  -3.614   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.873  -2.242   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       4.335  -2.161   0.000  0.00  0.00           O+0
HETATM   36  N   UNK     0       6.712  -0.950   0.000  0.00  0.00           N+0
HETATM   37  O   UNK     0       8.249  -1.031   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       6.013   0.422   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.851   1.714   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.152   3.086   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.991   4.377   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0       8.529   4.297   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0       6.292   5.750   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       4.754   5.830   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       7.131   7.041   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   45                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43    2                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₈N₆O₁₂

Average Mass

648.7110 Da

Monoisotopic Mass

648.33302 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@H]1CC(=O)N(O)CCC[C@@H](N)C(=O)O[C@H](C)CC(=O)N(O)CCC[C@@H](N)C(=O)O[C@H](C)CC(=O)N(O)CCC[C@@H](N)C(=O)O1

InChI Identifier

InChI=1S/C27H48N6O12/c1-16-13-22(34)31(40)10-5-8-20(29)26(38)44-18(3)15-24(36)33(42)12-6-9-21(30)27(39)45-17(2)14-23(35)32(41)11-4-7-19(28)25(37)43-16/h16-21,40-42H,4-15,28-30H2,1-3H3/t16-,17-,18-,19-,20-,21-/m1/s1

InChI Key

QKQHATWRIIIRSS-UCGFNCKJSA-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
Rhizobium etli	LOTUS Database	35616633
Rhizobium leguminosarum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Alpha-amino acid ester
Macrolactam
Macrolide
Alpha-amino acid or derivatives
Tricarboxylic acid or derivatives
Amino acid or derivatives
Carboxylic acid ester
Hydroxamic acid
Lactone
Carboxylic acid derivative
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Amine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Primary amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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

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

78439973

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139587939

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone (NP0302091)

MOL for NP0302091 ((2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone)

3D MOL for NP0302091 ((2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone)

3D SDF for NP0302091 ((2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone)

3D-SDF for NP0302091 ((2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone)

PDB for NP0302091 ((2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone)

3D PDB for NP0302091 ((2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone)

SMILES for NP0302091 ((2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone)

INCHI for NP0302091 ((2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone)

Structure for NP0302091 ((2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone)

3D Structure for NP0302091 ((2r,9r,12r,19r,22r,29r)-9,19,29-triamino-5,15,25-trihydroxy-2,12,22-trimethyl-1,11,21-trioxa-5,15,25-triazacyclotriacontane-4,10,14,20,24,30-hexone)