NP-MRD: Showing NP-Card for 6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one (NP0166095)

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Record Information

Version

2.0

Created at

2022-09-03 01:24:10 UTC

Updated at

2022-09-03 01:24:10 UTC

NP-MRD ID

NP0166095

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

Description

6-Hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]Hexadeca-5,10,12,14-tetraen-3-one belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. 6-Hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]Hexadeca-5,10,12,14-tetraen-3-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004251516132D          

 31 34  0  0  0  0            999 V2000
    1.6091    3.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063    2.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9242    2.4891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0612    1.3501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4816    0.6832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9143   -0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3124    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4938    0.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697   -0.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0904   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    0.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5592    1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617   -0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150   -0.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6111   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   -1.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4162   -0.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5715   -1.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403    0.1418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5091    1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    1.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125    1.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4437    0.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057    1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9504    2.0330    0.0000 O   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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
  5 16  1  0  0  0  0
 11 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
  8 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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
  7 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END


  Mrv1533004251516132D          

 31 34  0  0  0  0            999 V2000
    1.6091    3.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063    2.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9242    2.4891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0612    1.3501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4816    0.6832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9143   -0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3124    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4938    0.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697   -0.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0904   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    0.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5592    1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617   -0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150   -0.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6111   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   -1.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4162   -0.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5715   -1.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403    0.1418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5091    1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    1.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125    1.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4437    0.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057    1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9504    2.0330    0.0000 O   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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
  5 16  1  0  0  0  0
 11 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
  8 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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
  7 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0166095

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)N1C2N3C(CC2(C2=CC=CC=C12)C(C)(C)C=C)C(=O)NC(CC(C)C)C3=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H33N3O3/c1-7-20(29)27-18-12-10-9-11-16(18)25(24(5,6)8-2)14-19-21(30)26-17(13-15(3)4)22(31)28(19)23(25)27/h8-12,15,17,19,23H,2,7,13-14H2,1,3-6H3,(H,26,30)

> <INCHI_KEY>
FKIMAYNINSCCGK-UHFFFAOYSA-N

> <FORMULA>
C25H33N3O3

> <MOLECULAR_WEIGHT>
423.557

> <EXACT_MASS>
423.252191935

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
46.5320457792102

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione

> <ALOGPS_LOGP>
3.39

> <JCHEM_LOGP>
3.459396358333333

> <ALOGPS_LOGS>
-4.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.009538031943443

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.381125794789053

> <JCHEM_PKA_STRONGEST_BASIC>
-2.520366464269074

> <JCHEM_POLAR_SURFACE_AREA>
69.72

> <JCHEM_REFRACTIVITY>
118.56639999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.76e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0       3.004   6.506   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.812   4.978   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.039   4.048   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.458   4.646   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0       3.848   2.520   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       4.971   1.467   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       6.499   1.275   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       6.789  -0.237   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.440  -0.980   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.316   0.073   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.788   0.265   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.624  -0.742   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.169  -0.237   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.121   1.275   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.044   2.282   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.499   1.777   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.662  -1.321   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.056  -1.976   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.268  -0.666   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.007  -2.715   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.473  -2.845   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.244  -0.742   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.533  -2.255   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0       9.409   0.265   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       9.119   1.777   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.284   2.784   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.738   2.279   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.903   3.286   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.028   0.767   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.664   2.282   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       7.374   3.795   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   16                                                  
CONECT    6    5    7   10                                                  
CONECT    7    6    8   30                                                  
CONECT    8    7    9   22                                                  
CONECT    9    8   10                                                       
CONECT   10    9    6   11   17                                             
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15    5   11                                                  
CONECT   17   10   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21                                                       
CONECT   21   20                                                            
CONECT   22    8   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   25    7   31                                                  
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₃N₃O₃

Average Mass

423.5570 Da

Monoisotopic Mass

423.25219 Da

IUPAC Name

9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione

Traditional Name

9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10,12,14-triene-3,6-dione

CAS Registry Number

Not Available

SMILES

CCC(=O)N1C2N3C(CC2(C2=CC=CC=C12)C(C)(C)C=C)C(=O)NC(CC(C)C)C3=O

InChI Identifier

InChI=1S/C25H33N3O3/c1-7-20(29)27-18-12-10-9-11-16(18)25(24(5,6)8-2)14-19-21(30)26-17(13-15(3)4)22(31)28(19)23(25)27/h8-12,15,17,19,23H,2,7,13-14H2,1,3-6H3,(H,26,30)

InChI Key

FKIMAYNINSCCGK-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 pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyrroloindoles

Direct Parent

Pyrroloindoles

Alternative Parents

Substituents

Pyrroloindole
Alpha-amino acid or derivatives
Indole
Benzenoid
Pyrrole
Pyrrolidine
Tertiary carboxylic acid amide
Cyclic carboximidic acid
Lactam
Carboxamide group
Carboxylic acid derivative
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Azacycle
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Organic oxide
Organooxygen compound
Organonitrogen compound
Organic nitrogen 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	3.39	ALOGPS
logP	3.46	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	11.38	ChemAxon
pKa (Strongest Basic)	-2.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	69.72 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	118.57 m³·mol⁻¹	ChemAxon
Polarizability	46.53 Å³	ChemAxon
Number of Rings	4	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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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

74950449

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 6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one (NP0166095)

MOL for NP0166095 (6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

3D MOL for NP0166095 (6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

3D SDF for NP0166095 (6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

3D-SDF for NP0166095 (6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

PDB for NP0166095 (6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

3D PDB for NP0166095 (6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

SMILES for NP0166095 (6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

INCHI for NP0166095 (6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

Structure for NP0166095 (6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

3D Structure for NP0166095 (6-hydroxy-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-16-propanoyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)