NP-MRD: Showing NP-Card for n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid (NP0253832)

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Record Information

Version

2.0

Created at

2022-09-07 17:49:13 UTC

Updated at

2022-09-07 17:49:14 UTC

NP-MRD ID

NP0253832

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid

Description

Talassicumine B belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid is found in Aconitum talassicum. Based on a literature review very few articles have been published on Talassicumine B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072219492D          

 38 44  0  0  1  0            999 V2000
   -0.3274   -2.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1282    1.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309072219492D          

 38 44  0  0  1  0            999 V2000
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    4.7393   -1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4646   -0.2533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6456    0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178   -0.1091    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3899   -0.6478    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0354    0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630    0.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8221   -1.5122    0.0000 C   0  0  1  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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 16 15  1  4  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 33  1  6  0  0  0
 23 34  1  0  0  0  0
 34 35  1  0  0  0  0
 29 35  1  0  0  0  0
 35 36  1  6  0  0  0
 32 36  1  1  0  0  0
 36 37  2  0  0  0  0
 26 38  1  0  0  0  0
 38  3  1  1  0  0  0
 23 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0253832

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCN1C[C@]2(COC(=O)C3=CC=CC=C3N=C(C)O)CCC[C@@]34[C@@H]5C[C@@H]6CC=C([C@H]5C6=O)[C@](C[C@H]23)(OC)[C@@H]14

> <INCHI_IDENTIFIER>
InChI=1S/C31H38N2O5/c1-4-33-16-29(17-38-27(36)20-8-5-6-9-23(20)32-18(2)34)12-7-13-30-22-14-19-10-11-21(25(22)26(19)35)31(37-3,28(30)33)15-24(29)30/h5-6,8-9,11,19,22,24-25,28H,4,7,10,12-17H2,1-3H3,(H,32,34)/t19-,22+,24+,25+,28-,29-,30+,31-/m0/s1

> <INCHI_KEY>
RCEMJZRBCLKOMD-YGFAUBONSA-N

> <FORMULA>
C31H38N2O5

> <MOLECULAR_WEIGHT>
518.654

> <EXACT_MASS>
518.278072332

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
57.50491144408919

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[2-({[(1R,2R,3S,5S,9S,10S,13S,17S)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid

> <JCHEM_LOGP>
1.2979914299215476

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.486078808294373

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.291397339120695

> <JCHEM_PKA_STRONGEST_BASIC>
9.381072395210488

> <JCHEM_POLAR_SURFACE_AREA>
88.43

> <JCHEM_REFRACTIVITY>
145.77280000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-[2-({[(1R,2R,3S,5S,9S,10S,13S,17S)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid

> <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      -0.611  -4.460   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.926  -4.371   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       1.618  -2.995   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.783  -1.614   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.460  -0.167   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.017   0.370   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.239   1.889   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.682   2.427   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.869   1.446   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.938   3.945   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.382   4.483   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.638   6.001   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.451   6.982   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.008   6.445   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.751   4.926   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       0.692   4.389   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       1.879   5.370   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.322   4.832   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.623   6.888   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.896   1.372   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.398   1.802   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.378   0.607   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.985  -0.999   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.766  -0.872   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.595  -2.558   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.477  -3.195   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.418  -4.734   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.722  -5.555   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.171  -2.762   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.691  -3.146   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.847  -2.052   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.334  -0.473   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.805   0.849   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.447  -0.204   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.328  -1.209   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.533   0.173   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       7.398   1.707   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       3.401  -2.823   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   38                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   20   24                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    5   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   34   38                                             
CONECT   24   23    5   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   29   38                                             
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30   35                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   36                                                  
CONECT   33   32   34                                                       
CONECT   34   33   23   35                                                  
CONECT   35   34   29   36                                                  
CONECT   36   35   32   37                                                  
CONECT   37   36                                                            
CONECT   38   26    3   23                                                  
MASTER        0    0    0    0    0    0    0    0   38    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₈N₂O₅

Average Mass

518.6540 Da

Monoisotopic Mass

518.27807 Da

IUPAC Name

N-[2-({[(1R,2R,3S,5S,9S,10S,13S,17S)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid

Traditional Name

N-[2-({[(1R,2R,3S,5S,9S,10S,13S,17S)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid

CAS Registry Number

Not Available

SMILES

CCN1C[C@]2(COC(=O)C3=CC=CC=C3N=C(C)O)CCC[C@@]34[C@@H]5C[C@@H]6CC=C([C@H]5C6=O)[C@](C[C@H]23)(OC)[C@@H]14

InChI Identifier

InChI=1S/C31H38N2O5/c1-4-33-16-29(17-38-27(36)20-8-5-6-9-23(20)32-18(2)34)12-7-13-30-22-14-19-10-11-21(25(22)26(19)35)31(37-3,28(30)33)15-24(29)30/h5-6,8-9,11,19,22,24-25,28H,4,7,10,12-17H2,1-3H3,(H,32,34)/t19-,22+,24+,25+,28-,29-,30+,31-/m0/s1

InChI Key

RCEMJZRBCLKOMD-YGFAUBONSA-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
Aconitum talassicum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Acylaminobenzoic acid or derivatives
Acetanilide
Benzoate ester
Quinolidine
N-acetylarylamine
Benzoic acid or derivatives
Alkaloid or derivatives
Anilide
Benzoyl
N-arylamide
Azepane
Cyclohexenone
Monocyclic benzene moiety
Piperidine
Benzenoid
Acetamide
Vinylogous amide
Secondary carboxylic acid amide
Amino acid or derivatives
Tertiary aliphatic amine
Tertiary amine
Ketone
Carboxamide group
Carboxylic acid ester
Azacycle
Ether
Carboxylic acid derivative
Organoheterocyclic compound
Dialkyl ether
Amine
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organonitrogen compound
Organic nitrogen compound
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	1.3	ChemAxon
pKa (Strongest Acidic)	5.29	ChemAxon
pKa (Strongest Basic)	9.38	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	88.43 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	145.77 m³·mol⁻¹	ChemAxon
Polarizability	57.5 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	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

101677519

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid (NP0253832)

MOL for NP0253832 (n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid)

3D MOL for NP0253832 (n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid)

3D SDF for NP0253832 (n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid)

3D-SDF for NP0253832 (n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid)

PDB for NP0253832 (n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid)

3D PDB for NP0253832 (n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid)

SMILES for NP0253832 (n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid)

INCHI for NP0253832 (n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid)

Structure for NP0253832 (n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid)

3D Structure for NP0253832 (n-[2-({[(1r,2r,3s,5s,9s,10s,13s,17s)-11-ethyl-9-methoxy-4-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-7-en-13-yl]methoxy}carbonyl)phenyl]ethanimidic acid)