NP-MRD: Showing NP-Card for 35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone (NP0282178)

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Record Information

Version

2.0

Created at

2022-09-09 08:55:04 UTC

Updated at

2022-09-09 08:55:04 UTC

NP-MRD ID

NP0282178

Secondary Accession Numbers

None

Natural Product Identification

Common Name

35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone

Description

18-(Butan-2-yl)-35-ethyl-31-hydroxy-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15-bis(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]Hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Based on a literature review very few articles have been published on 18-(butan-2-yl)-35-ethyl-31-hydroxy-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15-bis(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]Hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309092210552D          

 75 77  0  0  0  0            999 V2000
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M  END


  Mrv1652309092210552D          

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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 18  1  4  0  0  0
 19 20  2  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
 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
 25 26  1  4  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  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
 39 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 47 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 53 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 58 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 62 66  1  0  0  0  0
 66 67  2  0  0  0  0
 66 68  1  0  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 68 72  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  2  0  0  0  0
 73 75  1  0  0  0  0
  3 75  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0282178

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1N(C)C(=O)C=C(OC)C(C)=CCC(C)C(C)OC(=O)C(C)C(O)CCCC(CC)OC(=O)C2CCCN2C(=O)C(C(C)C)N(C)C(=O)C2CCCN2C(=O)C(COC)N(C)C(=O)C(C(C)C)N(C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C56H94N6O13/c1-18-35(7)49-53(68)60(15)47(33(3)4)52(67)57(12)43(32-72-16)51(66)61-29-21-24-41(61)50(65)59(14)48(34(5)6)54(69)62-30-22-25-42(62)56(71)75-40(19-2)23-20-26-44(63)38(10)55(70)74-39(11)36(8)27-28-37(9)45(73-17)31-46(64)58(49)13/h28,31,33-36,38-44,47-49,63H,18-27,29-30,32H2,1-17H3

> <INCHI_KEY>
VXNKUFHPWIHJDR-UHFFFAOYSA-N

> <FORMULA>
C56H94N6O13

> <MOLECULAR_WEIGHT>
1059.397

> <EXACT_MASS>
1058.687887111

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
169

> <JCHEM_AVERAGE_POLARIZABILITY>
116.38596858694684

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
18-(butan-2-yl)-35-ethyl-31-hydroxy-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15-bis(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0^{6,10}]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone

> <JCHEM_LOGP>
4.689339643333335

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.745718922089523

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.663188225597413

> <JCHEM_PKA_STRONGEST_BASIC>
-0.09766483621481192

> <JCHEM_POLAR_SURFACE_AREA>
213.15

> <JCHEM_REFRACTIVITY>
286.5139000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0^{6,10}]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone

> <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      -2.007  -4.004   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.823  -2.475   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.407  -1.869   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.883  -0.405   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.089   1.121   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.020   2.660   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.678   4.161   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.142   4.637   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.072   5.577   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.428   6.307   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.776   6.862   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.428   7.823   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.840   7.976   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.086   8.881   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.296  10.203   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.474   9.549   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.933  10.991   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.958   9.959   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.492  10.097   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.026   9.959   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.301  11.474   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.510   9.549   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      11.051  10.991   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      10.073  12.180   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.898   8.881   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.144   7.976   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      14.157   9.135   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0      14.208   6.862   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      15.412   7.823   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.056   5.577   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.412   6.307   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.459   7.846   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      17.723   5.497   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      19.079   6.227   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      15.662   4.161   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      17.126   4.637   0.000  0.00  0.00           O+0
HETATM   37  N   UNK     0      16.004   2.660   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0      17.530   2.866   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      16.073   1.121   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      17.612   1.052   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      18.321  -0.315   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      18.441   2.350   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      15.867  -0.405   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      17.368  -0.747   0.000  0.00  0.00           O+0
HETATM   45  N   UNK     0      15.391  -1.869   0.000  0.00  0.00           N+0
HETATM   46  C   UNK     0      16.807  -2.475   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      14.661  -3.226   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      15.946  -4.074   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      17.324  -3.385   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      18.609  -4.233   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      13.701  -4.430   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      14.814  -5.494   0.000  0.00  0.00           O+0
HETATM   53  N   UNK     0      12.541  -5.443   0.000  0.00  0.00           N+0
HETATM   54  C   UNK     0      13.701  -6.456   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      13.096  -7.872   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      11.562  -7.734   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      11.219  -6.233   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       9.777  -6.774   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      10.187  -8.258   0.000  0.00  0.00           O+0
HETATM   60  N   UNK     0       8.262  -7.049   0.000  0.00  0.00           N+0
HETATM   61  C   UNK     0       8.400  -8.583   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0       6.722  -7.049   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       6.584  -8.583   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       5.187  -9.230   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       7.843  -9.469   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0       5.207  -6.774   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0       4.797  -8.258   0.000  0.00  0.00           O+0
HETATM   68  N   UNK     0       3.765  -6.233   0.000  0.00  0.00           N+0
HETATM   69  C   UNK     0       3.422  -7.734   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0       1.889  -7.872   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0       1.283  -6.456   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0       2.443  -5.443   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0       1.283  -4.430   0.000  0.00  0.00           C+0
HETATM   74  O   UNK     0       0.170  -5.494   0.000  0.00  0.00           O+0
HETATM   75  O   UNK     0       0.323  -3.226   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   75                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   35                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33                                                            
CONECT   35   30   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   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   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   51                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49                                                            
CONECT   51   47   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   54   57                                                  
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   53   58                                                  
CONECT   58   57   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58   61   62                                                  
CONECT   61   60                                                            
CONECT   62   60   63   66                                                  
CONECT   63   62   64   65                                                  
CONECT   64   63                                                            
CONECT   65   63                                                            
CONECT   66   62   67   68                                                  
CONECT   67   66                                                            
CONECT   68   66   69   72                                                  
CONECT   69   68   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   68   73                                                  
CONECT   73   72   74   75                                                  
CONECT   74   73                                                            
CONECT   75   73    3                                                       
MASTER        0    0    0    0    0    0    0    0   75    0  154    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₆H₉₄N₆O₁₃

Average Mass

1059.3970 Da

Monoisotopic Mass

1058.68789 Da

IUPAC Name

18-(butan-2-yl)-35-ethyl-31-hydroxy-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15-bis(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0^{6,10}]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone

Traditional Name

35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0^{6,10}]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone

CAS Registry Number

Not Available

SMILES

CCC(C)C1N(C)C(=O)C=C(OC)C(C)=CCC(C)C(C)OC(=O)C(C)C(O)CCCC(CC)OC(=O)C2CCCN2C(=O)C(C(C)C)N(C)C(=O)C2CCCN2C(=O)C(COC)N(C)C(=O)C(C(C)C)N(C)C1=O

InChI Identifier

InChI=1S/C56H94N6O13/c1-18-35(7)49-53(68)60(15)47(33(3)4)52(67)57(12)43(32-72-16)51(66)61-29-21-24-41(61)50(65)59(14)48(34(5)6)54(69)62-30-22-25-42(62)56(71)75-40(19-2)23-20-26-44(63)38(10)55(70)74-39(11)36(8)27-28-37(9)45(73-17)31-46(64)58(49)13/h28,31,33-36,38-44,47-49,63H,18-27,29-30,32H2,1-17H3

InChI Key

VXNKUFHPWIHJDR-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 fatty alcohol esters. These are ester derivatives of a fatty alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohol esters

Direct Parent

Fatty alcohol esters

Alternative Parents

Substituents

Fatty alcohol ester
Fatty acid ester
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	4.69	ChemAxon
pKa (Strongest Acidic)	14.66	ChemAxon
pKa (Strongest Basic)	-0.098	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	213.15 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	286.51 m³·mol⁻¹	ChemAxon
Polarizability	116.39 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

73985992

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone (NP0282178)

MOL for NP0282178 (35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone)

3D MOL for NP0282178 (35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone)

3D SDF for NP0282178 (35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone)

3D-SDF for NP0282178 (35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone)

PDB for NP0282178 (35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone)

3D PDB for NP0282178 (35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone)

SMILES for NP0282178 (35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone)

INCHI for NP0282178 (35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone)

Structure for NP0282178 (35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone)

3D Structure for NP0282178 (35-ethyl-31-hydroxy-3,15-diisopropyl-22-methoxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-18-(sec-butyl)-28,36-dioxa-1,4,10,13,16,19-hexaazatricyclo[36.3.0.0⁶,¹⁰]hentetraconta-21,23-dien-2,5,11,14,17,20,29,37-octone)