NP-MRD: Showing NP-Card for 2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one (NP0308965)

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Record Information

Version

2.0

Created at

2022-09-11 03:10:36 UTC

Updated at

2022-09-11 03:10:36 UTC

NP-MRD ID

NP0308965

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one

Description

1-[10-(Butan-2-yl)-8,11,16-trihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]Nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-2-(dimethylamino)-3-phenylpropan-1-one belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one is found in Paliurus ramosissimus. 1-[10-(Butan-2-yl)-8,11,16-trihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]Nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-2-(dimethylamino)-3-phenylpropan-1-one is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004191523352D          

 39 42  0  0  0  0            999 V2000
    5.0854    6.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

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M  END


  Mrv1533004191523352D          

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    3.5706    0.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3546    1.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1726    2.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3591    3.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039    4.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8552    4.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8949    5.1358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620    2.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4043    2.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7412    1.4518    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  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 31  1  4  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
  5 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 28 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0308965

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC2=CC=CC=C2)N(C)C)OC2=CC=C(C=CNC1=O)C(O)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C30H38N4O5/c1-5-19(2)26-28(36)31-15-13-21-11-12-22(18-24(21)35)39-25-14-16-34(27(25)29(37)32-26)30(38)23(33(3)4)17-20-9-7-6-8-10-20/h6-13,15,18-19,23,25-27,35H,5,14,16-17H2,1-4H3,(H,31,36)(H,32,37)

> <INCHI_KEY>
QKRCTKQLNFTDDO-UHFFFAOYSA-N

> <FORMULA>
C30H38N4O5

> <MOLECULAR_WEIGHT>
534.657

> <EXACT_MASS>
534.28422034

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
56.26626516338357

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10-(butan-2-yl)-6-[2-(dimethylamino)-3-phenylpropanoyl]-19-hydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),13,15,18-tetraene-8,11-dione

> <ALOGPS_LOGP>
2.72

> <JCHEM_LOGP>
2.7557787239218143

> <ALOGPS_LOGS>
-4.03

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.29144035966226

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.167514022530034

> <JCHEM_PKA_STRONGEST_BASIC>
7.268859598692831

> <JCHEM_POLAR_SURFACE_AREA>
111.21000000000002

> <JCHEM_REFRACTIVITY>
148.74640000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.96e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[2-(dimethylamino)-3-phenylpropanoyl]-19-hydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),13,15,18-tetraene-8,11-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       9.493  11.587   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.724  10.253   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.495   8.920   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.035   8.921   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.725   7.586   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       9.861   6.524   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      10.431   5.078   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      11.953   5.314   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      10.325   3.526   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.568   2.185   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.610   1.051   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.011   1.691   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      11.834   3.221   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      12.968   4.263   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      12.633   5.766   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      14.438   3.802   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.572   4.844   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.041   4.383   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.175   5.425   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      19.644   4.964   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      19.980   3.461   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      18.846   2.419   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      17.376   2.880   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      14.773   2.299   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      16.242   1.838   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.639   1.257   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.285   1.216   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       6.665   1.186   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.128   0.835   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.076   1.971   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.395   3.506   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.055   5.087   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.404   6.652   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0       5.607   7.731   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       7.196   8.049   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       7.271   9.587   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.902   3.801   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       6.355   5.274   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       6.984   2.710   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   35                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   13                                                  
CONECT   10    9   11   27                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    9   14                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   24                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
CONECT   24   16   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   10   28                                                       
CONECT   28   27   29   39                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34    5   36                                                  
CONECT   36   35                                                            
CONECT   37   31   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   28                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₈N₄O₅

Average Mass

534.6570 Da

Monoisotopic Mass

534.28422 Da

IUPAC Name

10-(butan-2-yl)-6-[2-(dimethylamino)-3-phenylpropanoyl]-19-hydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),13,15,18-tetraene-8,11-dione

Traditional Name

6-[2-(dimethylamino)-3-phenylpropanoyl]-19-hydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),13,15,18-tetraene-8,11-dione

CAS Registry Number

Not Available

SMILES

CCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC2=CC=CC=C2)N(C)C)OC2=CC=C(C=CNC1=O)C(O)=C2

InChI Identifier

InChI=1S/C30H38N4O5/c1-5-19(2)26-28(36)31-15-13-21-11-12-22(18-24(21)35)39-25-14-16-34(27(25)29(37)32-26)30(38)23(33(3)4)17-20-9-7-6-8-10-20/h6-13,15,18-19,23,25-27,35H,5,14,16-17H2,1-4H3,(H,31,36)(H,32,37)

InChI Key

QKRCTKQLNFTDDO-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
Paliurus ramosissimus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Cyclic alpha peptide
Macrolactam
Alpha-amino acid or derivatives
Amphetamine or derivatives
N-acylpyrrolidine
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Monocyclic benzene moiety
Benzenoid
Pyrrolidine
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Lactam
Secondary carboxylic acid amide
Tertiary amine
Tertiary aliphatic amine
Azacycle
Oxacycle
Ether
Organoheterocyclic compound
Amine
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic oxide
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Organopnictogen 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	2.72	ALOGPS
logP	2.76	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	9.17	ChemAxon
pKa (Strongest Basic)	7.27	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	111.21 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	148.75 m³·mol⁻¹	ChemAxon
Polarizability	56.27 Å³	ChemAxon
Number of Rings	4	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one (NP0308965)

MOL for NP0308965 (2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one)

3D MOL for NP0308965 (2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one)

3D SDF for NP0308965 (2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one)

3D-SDF for NP0308965 (2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one)

PDB for NP0308965 (2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one)

3D PDB for NP0308965 (2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one)

SMILES for NP0308965 (2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one)

INCHI for NP0308965 (2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one)

Structure for NP0308965 (2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one)

3D Structure for NP0308965 (2-(dimethylamino)-3-phenyl-1-[8,11,19-trihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]propan-1-one)