NP-MRD: Showing NP-Card for 17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone (NP0179280)

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Record Information

Version

2.0

Created at

2022-09-03 17:26:18 UTC

Updated at

2022-09-03 17:26:18 UTC

NP-MRD ID

NP0179280

Secondary Accession Numbers

None

Natural Product Identification

Common Name

17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone

Description

17-Benzyl-2-(butan-2-yl)-3,9,18,26-tetrahydroxy-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-(propan-2-yl)-28-propyl-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Based on a literature review very few articles have been published on 17-benzyl-2-(butan-2-yl)-3,9,18,26-tetrahydroxy-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-(propan-2-yl)-28-propyl-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032219262D          

 70 71  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
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M  END

     RDKit          3D

152153  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309032219262D          

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 62 64  1  0  0  0  0
 64 65  1  0  0  0  0
 61 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  2  0  0  0  0
 67 69  1  0  0  0  0
  4 69  1  0  0  0  0
 69 70  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0179280

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC1N=C(O)C(C)N(C)C(=O)C(C)(C)C(=O)C(C)N=C(O)C(CC2=CC=CC=C2)N(C)C(=O)C(C(C)C)N(C)C(=O)CN=C(O)C(CC(C)C)N(C)C(=O)CN=C(O)C(OC(=O)C1C)C(C)CC

> <INCHI_IDENTIFIER>
InChI=1S/C51H82N8O11/c1-17-22-36-32(8)49(68)70-42(31(7)18-2)47(66)53-27-39(60)57(14)37(25-29(3)4)45(64)52-28-40(61)59(16)41(30(5)6)48(67)58(15)38(26-35-23-20-19-21-24-35)46(65)54-33(9)43(62)51(11,12)50(69)56(13)34(10)44(63)55-36/h19-21,23-24,29-34,36-38,41-42H,17-18,22,25-28H2,1-16H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)

> <INCHI_KEY>
IIRHRPDTNGFOSK-UHFFFAOYSA-N

> <FORMULA>
C51H82N8O11

> <MOLECULAR_WEIGHT>
983.262

> <EXACT_MASS>
982.610305492

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
152

> <JCHEM_AVERAGE_POLARIZABILITY>
107.08375328275159

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
17-benzyl-2-(butan-2-yl)-3,9,18,26-tetrahydroxy-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-(propan-2-yl)-28-propyl-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone

> <JCHEM_LOGP>
5.960833781145291

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.73501835760648

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.93564282335254

> <JCHEM_PKA_STRONGEST_BASIC>
5.296085725436316

> <JCHEM_POLAR_SURFACE_AREA>
254.96999999999997

> <JCHEM_REFRACTIVITY>
264.5919000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      18.672  -1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.005  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.005   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      18.672   1.540   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      18.672   0.000   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      17.338  -0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      17.338  -2.310   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      16.004   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      16.004   1.540   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      17.338   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.670   2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      13.337   1.540   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      14.670   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.154   3.583   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.681   2.670   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      13.337   6.160   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.670   6.930   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      12.003   6.930   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      13.337   9.240   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      10.669  10.780   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      12.003  11.550   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.336  11.550   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       8.002  10.780   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       9.336  13.090   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.002  13.860   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.002  15.400   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.668  13.090   0.000  0.00  0.00           C+0
HETATM   40  N   UNK     0      10.669  13.860   0.000  0.00  0.00           N+0
HETATM   41  C   UNK     0      12.003  13.090   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      10.669  15.400   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       9.336  16.170   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      12.003  16.170   0.000  0.00  0.00           C+0
HETATM   45  N   UNK     0      13.337  15.400   0.000  0.00  0.00           N+0
HETATM   46  C   UNK     0      13.337  13.860   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      12.710  12.453   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      14.670  13.090   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      16.004  13.860   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      16.004  15.400   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      14.670  16.170   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      17.338  16.170   0.000  0.00  0.00           C+0
HETATM   53  N   UNK     0      14.670  11.550   0.000  0.00  0.00           N+0
HETATM   54  C   UNK     0      13.337  10.780   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      16.004  10.780   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      17.338  11.550   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0      16.004   9.240   0.000  0.00  0.00           C+0
HETATM   58  N   UNK     0      17.338   8.470   0.000  0.00  0.00           N+0
HETATM   59  C   UNK     0      17.338   6.930   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      16.004   6.160   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0      18.672   6.160   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      20.005   6.930   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      21.339   6.160   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      20.005   8.470   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      18.672   9.240   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0      18.672   4.620   0.000  0.00  0.00           O+0
HETATM   67  C   UNK     0      20.005   3.850   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      21.339   4.620   0.000  0.00  0.00           O+0
HETATM   69  C   UNK     0      20.005   2.310   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      21.339   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   69                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16   17                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   32                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   26                                                       
CONECT   32   24   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   40                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   36   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   53                                                  
CONECT   49   48   50                                                       
CONECT   50   49   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50                                                            
CONECT   53   48   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   62   66                                                  
CONECT   62   61   63   64                                                  
CONECT   63   62                                                            
CONECT   64   62   65                                                       
CONECT   65   64                                                            
CONECT   66   61   67                                                       
CONECT   67   66   68   69                                                  
CONECT   68   67                                                            
CONECT   69   67    4   70                                                  
CONECT   70   69                                                            
MASTER        0    0    0    0    0    0    0    0   70    0  142    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₁H₈₂N₈O₁₁

Average Mass

983.2620 Da

Monoisotopic Mass

982.61031 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCC1N=C(O)C(C)N(C)C(=O)C(C)(C)C(=O)C(C)N=C(O)C(CC2=CC=CC=C2)N(C)C(=O)C(C(C)C)N(C)C(=O)CN=C(O)C(CC(C)C)N(C)C(=O)CN=C(O)C(OC(=O)C1C)C(C)CC

InChI Identifier

InChI=1S/C51H82N8O11/c1-17-22-36-32(8)49(68)70-42(31(7)18-2)47(66)53-27-39(60)57(14)37(25-29(3)4)45(64)52-28-40(61)59(16)41(30(5)6)48(67)58(15)38(26-35-23-20-19-21-24-35)46(65)54-33(9)43(62)51(11,12)50(69)56(13)34(10)44(63)55-36/h19-21,23-24,29-34,36-38,41-42H,17-18,22,25-28H2,1-16H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)

InChI Key

IIRHRPDTNGFOSK-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Cyclic hybrid peptide
Macrolactam
Macrolide
Alpha-amino acid or derivatives
Monocyclic benzene moiety
Benzenoid
Tertiary carboxylic acid amide
Cyclic carboximidic acid
Carboxamide group
Carboxylic acid ester
Ketone
Lactam
Cyclic ketone
Lactone
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Oxacycle
Monocarboxylic acid or derivatives
Polyol
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
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

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

76046531

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone (NP0179280)

MOL for NP0179280 (17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone)

3D MOL for NP0179280 (17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone)

3D SDF for NP0179280 (17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone)

3D-SDF for NP0179280 (17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone)

PDB for NP0179280 (17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone)

3D PDB for NP0179280 (17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone)

SMILES for NP0179280 (17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone)

INCHI for NP0179280 (17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone)

Structure for NP0179280 (17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone)

3D Structure for NP0179280 (17-benzyl-3,9,18,26-tetrahydroxy-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-28-propyl-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone)