NP-MRD: Showing NP-Card for 4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate (NP0227929)

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Record Information

Version

2.0

Created at

2022-09-06 07:24:49 UTC

Updated at

2022-09-06 07:24:49 UTC

NP-MRD ID

NP0227929

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate

Description

4,24-Dimethyl (16R)-11-[(1R)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]Nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylate belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen. Based on a literature review very few articles have been published on 4,24-dimethyl (16R)-11-[(1R)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]Nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062209242D          

 41 47  0  0  1  0            999 V2000
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M  END

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M  END


  Mrv1652309062209242D          

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    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  6  0  0  0
 32 36  1  0  0  0  0
 28 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 26 38  1  0  0  0  0
 38 39  2  0  0  0  0
 19 39  1  0  0  0  0
 39 40  1  0  0  0  0
 16 40  1  0  0  0  0
 40 41  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0227929

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=CC=CC2=C1NC1=CC=CC3=C1N2C1=CC(C(=O)OC)=C2N=C4C=CC=C([C@@H](C)O)C4=NC2=C1[C@@H]3C

> <INCHI_IDENTIFIER>
InChI=1S/C32H26N4O5/c1-15-17-8-5-12-22-30(17)36(23-13-7-10-19(27(23)34-22)31(38)40-3)24-14-20(32(39)41-4)28-29(25(15)24)35-26-18(16(2)37)9-6-11-21(26)33-28/h5-16,34,37H,1-4H3/t15-,16-/m1/s1

> <INCHI_KEY>
ZWQICGUFPUFQSL-HZPDHXFCSA-N

> <FORMULA>
C32H26N4O5

> <MOLECULAR_WEIGHT>
546.583

> <EXACT_MASS>
546.190319953

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
59.8345256167387

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,24-dimethyl (16R)-11-[(1R)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{21,29}.0^{23,28}]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate

> <JCHEM_LOGP>
7.210242519666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.745316486057455

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.562849078903229

> <JCHEM_PKA_STRONGEST_BASIC>
-0.07118528964749549

> <JCHEM_POLAR_SURFACE_AREA>
113.88000000000001

> <JCHEM_REFRACTIVITY>
152.25840000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4,24-dimethyl (16R)-11-[(1R)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{21,29}.0^{23,28}]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -6.668   2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -5.335  -0.000   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -2.667  -0.000   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       0.000   1.540   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.001   6.930   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       5.335   4.620   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0       5.335   1.540   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.001  -0.770   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   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   18                                                  
CONECT   10    9    5   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   40                                                  
CONECT   17   16   12   18                                                  
CONECT   18   17    9   19                                                  
CONECT   19   18   20   39                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24                                                            
CONECT   26   21   27   38                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   36                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   36                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   32   28   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37   26   39                                                  
CONECT   39   38   19   40                                                  
CONECT   40   39   16   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   94    0
END

View in JSmol

Synonyms

Value	Source
4,24-Dimethyl (16R)-11-[(1R)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0,.0,.0,.0,.0,]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylic acid	Generator

Chemical Formula

C₃₂H₂₆N₄O₅

Average Mass

546.5830 Da

Monoisotopic Mass

546.19032 Da

IUPAC Name

4,24-dimethyl (16R)-11-[(1R)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{21,29}.0^{23,28}]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate

Traditional Name

CAS Registry Number

Not Available

SMILES

COC(=O)C1=CC=CC2=C1NC1=CC=CC3=C1N2C1=CC(C(=O)OC)=C2N=C4C=CC=C([C@@H](C)O)C4=NC2=C1[C@@H]3C

InChI Identifier

InChI=1S/C32H26N4O5/c1-15-17-8-5-12-22-30(17)36(23-13-7-10-19(27(23)34-22)31(38)40-3)24-14-20(32(39)41-4)28-29(25(15)24)35-26-18(16(2)37)9-6-11-21(26)33-28/h5-16,34,37H,1-4H3/t15-,16-/m1/s1

InChI Key

ZWQICGUFPUFQSL-HZPDHXFCSA-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 triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Triarylamines

Alternative Parents

Substituents

Tertiary aromatic amine
Acridine
Benzoquinoline
Phenazine
Aminoquinoline
Diazanaphthalene
Quinoxaline
Dicarboxylic acid or derivatives
Benzenoid
Pyrazine
Heteroaromatic compound
Vinylogous amide
Methyl ester
Amino acid or derivatives
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Secondary amine
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Organopnictogen compound
Organooxygen compound
Aromatic alcohol
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	7.21	ChemAxon
pKa (Strongest Acidic)	14.56	ChemAxon
pKa (Strongest Basic)	-0.071	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	113.88 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	152.26 m³·mol⁻¹	ChemAxon
Polarizability	59.83 Å³	ChemAxon
Number of Rings	7	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

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

162876679

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate (NP0227929)

MOL for NP0227929 (4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate)

3D MOL for NP0227929 (4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate)

3D SDF for NP0227929 (4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate)

3D-SDF for NP0227929 (4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate)

PDB for NP0227929 (4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate)

3D PDB for NP0227929 (4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate)

SMILES for NP0227929 (4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate)

INCHI for NP0227929 (4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate)

Structure for NP0227929 (4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate)

3D Structure for NP0227929 (4,24-dimethyl (16r)-11-[(1r)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0²¹,²⁹.0²³,²⁸]nonacosa-2,4,6,8,10,12,14,17(29),18,20,23(28),24,26-tridecaene-4,24-dicarboxylate)