NP-MRD: Showing NP-Card for 2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate (NP0306259)

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Record Information

Version

2.0

Created at

2022-09-10 22:37:18 UTC

Updated at

2022-09-10 22:37:18 UTC

NP-MRD ID

NP0306259

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate

Description

2-{24-Methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]Tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate belongs to the class of organic compounds known as dihydrobenzophenanthridine alkaloids. These are alkaloids containing a dihydrobenzophenanthridine skeleton, which is a tetracyclic compound containing a benzene fused to a dihydrophenanthridine moiety. Based on a literature review very few articles have been published on 2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]Tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309112200372D          

 31 36  0  0  0  0            999 V2000
    4.2598   -5.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5839   -4.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0890   -3.6678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7271   -3.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5462   -3.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8703   -2.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3754   -1.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6995   -1.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2045   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3855   -0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0613   -1.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563   -2.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0815   -2.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2931   -2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2807   -1.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5186   -1.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8427   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6618   -0.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1567   -0.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9758   -0.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4708   -1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1467   -2.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3276   -2.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8326   -1.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0135   -1.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6894   -2.5147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1844   -3.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7680   -2.7615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4762   -2.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2925   -1.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  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
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  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  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 22 31  1  0  0  0  0
M  END


  Mrv1652309112200372D          

 31 36  0  0  0  0            999 V2000
    4.2598   -5.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5839   -4.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0890   -3.6678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7271   -3.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5462   -3.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8703   -2.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3754   -1.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6995   -1.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2045   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3855   -0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0613   -1.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5563   -2.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0815   -2.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2931   -2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2807   -1.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5186   -1.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8427   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6618   -0.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1567   -0.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9758   -0.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4708   -1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1467   -2.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3276   -2.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8326   -1.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0135   -1.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6894   -2.5147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1844   -3.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7680   -2.7615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4762   -2.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2925   -1.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  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
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  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  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 22 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0306259

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C(CCOC(C)=O)C2=C(C=CC3=C2OCO3)C2=CC=C3C=C4OCOC4=CC3=C12

> <INCHI_IDENTIFIER>
InChI=1S/C24H21NO6/c1-13(26)27-8-7-18-22-15(5-6-19-24(22)31-12-28-19)16-4-3-14-9-20-21(30-11-29-20)10-17(14)23(16)25(18)2/h3-6,9-10,18H,7-8,11-12H2,1-2H3

> <INCHI_KEY>
WADSRLPCHRQYER-UHFFFAOYSA-N

> <FORMULA>
C24H21NO6

> <MOLECULAR_WEIGHT>
419.433

> <EXACT_MASS>
419.1368874

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
44.41807532373426

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-1,3,8,10,12,14(22),15,17(21)-octaen-23-yl}ethyl acetate

> <JCHEM_LOGP>
3.5864362373333316

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.165369648779806

> <JCHEM_POLAR_SURFACE_AREA>
66.46000000000001

> <JCHEM_REFRACTIVITY>
112.14080000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-1,3,8,10,12,14(22),15,17(21)-octaen-23-yl}ethyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       7.952  -9.495   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.557  -8.079   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       7.633  -6.847   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      10.086  -7.895   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      10.691  -6.478   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.220  -6.294   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.825  -4.878   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.901  -3.646   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.506  -2.230   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.582  -0.998   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.053  -1.182   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.448  -2.598   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.372  -3.830   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.485  -5.090   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       8.014  -4.636   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       7.991  -3.096   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      14.035  -2.046   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.640  -0.630   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      16.169  -0.446   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      17.093  -1.678   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      18.622  -1.493   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      19.545  -2.726   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      18.940  -4.142   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.411  -4.326   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.488  -3.094   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.959  -3.278   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      14.354  -4.694   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      15.277  -5.926   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      20.100  -5.155   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      21.422  -4.365   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      21.079  -2.863   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   27                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   12    8   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   12                                                       
CONECT   17    9   18   26                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   31                                                  
CONECT   23   22   24   29                                                  
CONECT   24   23   25                                                       
CONECT   25   24   20   26                                                  
CONECT   26   25   17   27                                                  
CONECT   27   26    7   28                                                  
CONECT   28   27                                                            
CONECT   29   23   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   22                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   72    0
END

View in JSmol

Synonyms

Value	Source
2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0,.0,.0,.0,]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetic acid	Generator

Chemical Formula

C₂₄H₂₁NO₆

Average Mass

419.4330 Da

Monoisotopic Mass

419.13689 Da

IUPAC Name

2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-1,3,8,10,12,14(22),15,17(21)-octaen-23-yl}ethyl acetate

Traditional Name

2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-1,3,8,10,12,14(22),15,17(21)-octaen-23-yl}ethyl acetate

CAS Registry Number

Not Available

SMILES

CN1C(CCOC(C)=O)C2=C(C=CC3=C2OCO3)C2=CC=C3C=C4OCOC4=CC3=C12

InChI Identifier

InChI=1S/C24H21NO6/c1-13(26)27-8-7-18-22-15(5-6-19-24(22)31-12-28-19)16-4-3-14-9-20-21(30-11-29-20)10-17(14)23(16)25(18)2/h3-6,9-10,18H,7-8,11-12H2,1-2H3

InChI Key

WADSRLPCHRQYER-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 dihydrobenzophenanthridine alkaloids. These are alkaloids containing a dihydrobenzophenanthridine skeleton, which is a tetracyclic compound containing a benzene fused to a dihydrophenanthridine moiety.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Benzophenanthridine alkaloids

Sub Class

Dihydrobenzophenanthridine alkaloids

Direct Parent

Dihydrobenzophenanthridine alkaloids

Alternative Parents

Substituents

Dihydrobenzophenanthridine alkaloid skeleton
Benzoquinoline
Phenanthridine
Naphthalene
Quinoline
Benzodioxole
Tertiary aliphatic/aromatic amine
Dialkylarylamine
Aralkylamine
Benzenoid
Amino acid or derivatives
Tertiary amine
Carboxylic acid ester
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Monocarboxylic acid or derivatives
Oxacycle
Organopnictogen compound
Amine
Carbonyl group
Organic nitrogen compound
Organic oxide
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
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	3.59	ChemAxon
pKa (Strongest Basic)	2.17	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	66.46 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	112.14 m³·mol⁻¹	ChemAxon
Polarizability	44.42 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

162909352

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate (NP0306259)

MOL for NP0306259 (2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate)

3D MOL for NP0306259 (2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate)

3D SDF for NP0306259 (2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate)

3D-SDF for NP0306259 (2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate)

PDB for NP0306259 (2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate)

3D PDB for NP0306259 (2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate)

SMILES for NP0306259 (2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate)

INCHI for NP0306259 (2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate)

Structure for NP0306259 (2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate)

3D Structure for NP0306259 (2-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}ethyl acetate)