NP-MRD: Showing NP-Card for 11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone (NP0242622)

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Record Information

Version

2.0

Created at

2022-09-07 02:58:32 UTC

Updated at

2022-09-07 02:58:33 UTC

NP-MRD ID

NP0242622

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone

Description

140715-94-2 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. 11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone is found in Bipolaris zeicola. Based on a literature review very few articles have been published on 140715-94-2.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072204582D          

 68 68  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
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M  END

     RDKit          3D

153153  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309072204582D          

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 65 66  2  0  0  0  0
 65 67  1  0  0  0  0
  5 67  1  0  0  0  0
 67 68  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0242622

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1N(C)C(=O)C(CC(C)C)N=C(O)C(C(C)O)N(C)C(=O)C(OC(=O)C(C)N(C)C(=O)C(OC(=O)C(CO)N=C(O)C(CC(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)C)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C48H85N7O13/c1-20-29(12)36-44(62)53(17)35(26(6)7)43(61)52(16)34(22-25(4)5)40(58)50-33(23-56)48(66)68-38(27(8)9)45(63)51(15)30(13)47(65)67-39(28(10)11)46(64)55(19)37(31(14)57)41(59)49-32(21-24(2)3)42(60)54(36)18/h24-39,56-57H,20-23H2,1-19H3,(H,49,59)(H,50,58)

> <INCHI_KEY>
NZTGVGORBGCOFL-UHFFFAOYSA-N

> <FORMULA>
C48H85N7O13

> <MOLECULAR_WEIGHT>
968.244

> <EXACT_MASS>
967.620535825

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
153

> <JCHEM_AVERAGE_POLARIZABILITY>
103.16034277386169

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
18-(butan-2-yl)-11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-6,15,27-tris(propan-2-yl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone

> <JCHEM_LOGP>
4.212763768666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.671403125001596

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.027924375015544

> <JCHEM_PKA_STRONGEST_BASIC>
1.320829727405599

> <JCHEM_POLAR_SURFACE_AREA>
259.78999999999996

> <JCHEM_REFRACTIVITY>
252.74070000000017

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       5.472   1.236   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.651   0.246   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.384  -1.270   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.564  -2.260   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.937  -1.797   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.757  -0.807   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.025   0.710   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       2.310  -1.334   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       1.783  -2.781   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.540  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.540   2.667   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.850   1.334   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -0.770   1.334   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      -0.770  -1.334   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -0.243  -2.781   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.217  -0.807   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.485   0.710   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.932   1.236   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.111   0.246   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.199   2.753   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.397  -1.797   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -4.844  -1.270   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0      -3.129  -3.313   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      -4.577  -3.840   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.756  -2.850   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -7.203  -3.377   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -4.844  -5.357   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -6.291  -5.883   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -3.664  -6.347   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -4.434  -7.680   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -5.974  -7.680   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.744  -9.014   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -6.744  -6.347   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.664  -9.014   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -4.434 -10.348   0.000  0.00  0.00           O+0
HETATM   38  N   UNK     0      -2.124  -9.014   0.000  0.00  0.00           N+0
HETATM   39  C   UNK     0      -1.134  -7.834   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -1.857 -10.531   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -3.037 -11.521   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -0.410 -11.057   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -0.142 -12.574   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       0.770 -10.067   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       1.950 -11.057   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       1.682 -12.574   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       2.862 -13.564   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       0.235 -13.101   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       3.397 -10.531   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       4.577 -11.521   0.000  0.00  0.00           O+0
HETATM   51  N   UNK     0       3.664  -9.014   0.000  0.00  0.00           N+0
HETATM   52  C   UNK     0       2.674  -7.834   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       5.204  -9.014   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       5.974 -10.348   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       7.514 -10.348   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0       5.204 -11.681   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0       5.974  -7.680   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       7.514  -7.680   0.000  0.00  0.00           O+0
HETATM   59  N   UNK     0       5.204  -6.347   0.000  0.00  0.00           N+0
HETATM   60  C   UNK     0       6.384  -5.357   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       7.831  -5.883   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0       9.011  -4.894   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       8.743  -3.377   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      10.458  -5.420   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       6.117  -3.840   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0       7.296  -2.850   0.000  0.00  0.00           O+0
HETATM   67  N   UNK     0       4.669  -3.313   0.000  0.00  0.00           N+0
HETATM   68  C   UNK     0       3.336  -4.083   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   67                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   14                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   10   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   18   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   36                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   32   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46   49                                                  
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46                                                            
CONECT   49   45   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   54   57                                                  
CONECT   54   53   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54                                                            
CONECT   57   53   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57   60                                                       
CONECT   60   59   61   65                                                  
CONECT   61   60   62                                                       
CONECT   62   61   63   64                                                  
CONECT   63   62                                                            
CONECT   64   62                                                            
CONECT   65   60   66   67                                                  
CONECT   66   65                                                            
CONECT   67   65    5   68                                                  
CONECT   68   67                                                            
MASTER        0    0    0    0    0    0    0    0   68    0  136    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₈H₈₅N₇O₁₃

Average Mass

968.2440 Da

Monoisotopic Mass

967.62054 Da

IUPAC Name

18-(butan-2-yl)-11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-6,15,27-tris(propan-2-yl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone

Traditional Name

CAS Registry Number

Not Available

SMILES

CCC(C)C1N(C)C(=O)C(CC(C)C)N=C(O)C(C(C)O)N(C)C(=O)C(OC(=O)C(C)N(C)C(=O)C(OC(=O)C(CO)N=C(O)C(CC(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O)C(C)C)C(C)C

InChI Identifier

InChI=1S/C48H85N7O13/c1-20-29(12)36-44(62)53(17)35(26(6)7)43(61)52(16)34(22-25(4)5)40(58)50-33(23-56)48(66)68-38(27(8)9)45(63)51(15)30(13)47(65)67-39(28(10)11)46(64)55(19)37(31(14)57)41(59)49-32(21-24(2)3)42(60)54(36)18/h24-39,56-57H,20-23H2,1-19H3,(H,49,59)(H,50,58)

InChI Key

NZTGVGORBGCOFL-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
Bipolaris zeicola	LOTUS Database	35616633

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
Alpha-amino acid ester
Macrolactam
Macrolide
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Tertiary carboxylic acid amide
Carboxamide group
Carboxylic acid ester
Lactam
Lactone
Secondary alcohol
Secondary carboxylic acid amide
Azacycle
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Primary alcohol
Carbonyl group
Alcohol
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
logP	4.21	ChemAxon
pKa (Strongest Acidic)	4.03	ChemAxon
pKa (Strongest Basic)	1.32	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	259.79 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	252.74 m³·mol⁻¹	ChemAxon
Polarizability	103.16 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	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

155428

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

178562

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone (NP0242622)

MOL for NP0242622 (11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone)

3D MOL for NP0242622 (11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone)

3D SDF for NP0242622 (11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone)

3D-SDF for NP0242622 (11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone)

PDB for NP0242622 (11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone)

3D PDB for NP0242622 (11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone)

SMILES for NP0242622 (11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone)

INCHI for NP0242622 (11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone)

Structure for NP0242622 (11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone)

3D Structure for NP0242622 (11,23-dihydroxy-24-(1-hydroxyethyl)-9-(hydroxymethyl)-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-12,21-bis(2-methylpropyl)-18-(sec-butyl)-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosa-10,22-diene-2,5,8,14,17,20,26-heptone)