NP-MRD: Showing NP-Card for (1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione (NP0197378)

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Record Information

Version

2.0

Created at

2022-09-04 15:37:56 UTC

Updated at

2022-09-04 15:37:56 UTC

NP-MRD ID

NP0197378

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione

Description

Alanditrypinone belongs to the class of organic compounds known as pyridopyrimidines. Pyridopyrimidines are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. (1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione was first documented in 2019 (PMID: 30762374). Based on a literature review very few articles have been published on Alanditrypinone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042217372D          

 41 49  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309042217372D          

 41 49  0  0  1  0            999 V2000
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    2.9540    0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685   -0.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    0.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540    0.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2396    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2396    2.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  2  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
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  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  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 20 28  1  0  0  0  0
 23 28  1  0  0  0  0
 18 29  1  0  0  0  0
 30 29  1  6  0  0  0
 15 30  1  0  0  0  0
  8 30  1  0  0  0  0
  6 31  1  6  0  0  0
 31 32  1  0  0  0  0
  2 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 34 39  1  0  0  0  0
 39 40  1  0  0  0  0
 31 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0197378

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@]12N=C(O)[C@@H](C[C@]11[C@H]3N[C@H](CC4=CNC5=CC=CC=C45)C(=O)N3C3=CC=CC=C13)N1C(=O)C3=CC=CC=C3N=C21

> <INCHI_IDENTIFIER>
InChI=1S/C32H26N6O3/c1-31-29-34-22-12-6-3-9-19(22)27(40)38(29)25(26(39)36-31)15-32(31)20-10-4-7-13-24(20)37-28(41)23(35-30(32)37)14-17-16-33-21-11-5-2-8-18(17)21/h2-13,16,23,25,30,33,35H,14-15H2,1H3,(H,36,39)/t23-,25-,30+,31+,32+/m1/s1

> <INCHI_KEY>
XGMSBFCARQKIOJ-PGFNPXHBSA-N

> <FORMULA>
C32H26N6O3

> <MOLECULAR_WEIGHT>
542.599

> <EXACT_MASS>
542.206638721

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
57.24891660286588

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1'R,2R,9R,9aS,12'R)-15'-hydroxy-2-[(1H-indol-3-yl)methyl]-12'-methyl-1,2,3,9a-tetrahydro-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0^{2,11}.0^{4,9}]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione

> <JCHEM_LOGP>
2.0747567732236942

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.083770693049967

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.011782722230591

> <JCHEM_PKA_STRONGEST_BASIC>
5.860634378582042

> <JCHEM_POLAR_SURFACE_AREA>
113.38999999999999

> <JCHEM_REFRACTIVITY>
152.3569

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,2R,9R,9aS,12'R)-15'-hydroxy-2-(1H-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1H-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0^{2,11}.0^{4,9}]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       1.513  -1.999   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.513  -0.459   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       0.180   0.311   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.180   1.851   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.154   2.621   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.513   2.621   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.770   1.594   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.770   0.568   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.316   1.719   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.355   3.320   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.499   4.350   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.964   3.874   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.284   2.368   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.140   1.338   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       4.027   0.218   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       5.045  -1.448   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       6.585  -1.448   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.140  -2.694   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.616  -4.159   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.585  -5.303   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.905  -6.810   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       2.572  -7.580   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       1.427  -6.549   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.104  -6.710   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.010  -5.464   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.383  -4.057   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.148  -3.896   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.054  -5.142   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0       2.675  -2.218   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0       2.675  -0.678   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0       2.847   1.851   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0       2.847   0.311   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0       4.181  -0.459   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0       5.514   0.311   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.848  -0.459   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.182   0.311   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.182   1.851   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.848   2.621   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.514   1.851   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.181   2.621   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.181   4.161   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8   32                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   31                                                  
CONECT    7    6    8                                                       
CONECT    8    7    2    9   30                                             
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9   15                                                  
CONECT   15   14   16   30                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   29                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   20   23                                                  
CONECT   29   18   30                                                       
CONECT   30   29   15    8                                                  
CONECT   31    6   32   40                                                  
CONECT   32   31    2   33                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   34   40                                                  
CONECT   40   39   31   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₂₆N₆O₃

Average Mass

542.5990 Da

Monoisotopic Mass

542.20664 Da

IUPAC Name

(1'R,2R,9R,9aS,12'R)-15'-hydroxy-2-[(1H-indol-3-yl)methyl]-12'-methyl-1,2,3,9a-tetrahydro-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0^{2,11}.0^{4,9}]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione

Traditional Name

(1'R,2R,9R,9aS,12'R)-15'-hydroxy-2-(1H-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1H-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0^{2,11}.0^{4,9}]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione

CAS Registry Number

Not Available

SMILES

C[C@@]12N=C(O)[C@@H](C[C@]11[C@H]3N[C@H](CC4=CNC5=CC=CC=C45)C(=O)N3C3=CC=CC=C13)N1C(=O)C3=CC=CC=C3N=C21

InChI Identifier

InChI=1S/C32H26N6O3/c1-31-29-34-22-12-6-3-9-19(22)27(40)38(29)25(26(39)36-31)15-32(31)20-10-4-7-13-24(20)37-28(41)23(35-30(32)37)14-17-16-33-21-11-5-2-8-18(17)21/h2-13,16,23,25,30,33,35H,14-15H2,1H3,(H,36,39)/t23-,25-,30+,31+,32+/m1/s1

InChI Key

XGMSBFCARQKIOJ-PGFNPXHBSA-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 pyridopyrimidines. Pyridopyrimidines are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridopyrimidines

Sub Class

Not Available

Direct Parent

Pyridopyrimidines

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Pyridopyrimidine
Quinazoline
3-alkylindole
Diazanaphthalene
Indole or derivatives
Indole
Delta-lactam
Piperidinone
Pyrimidone
Piperidine
Benzenoid
Pyridine
Substituted pyrrole
Imidazolidinone
Pyrimidine
Heteroaromatic compound
Imidazolidine
Tertiary carboxylic acid amide
Pyrrole
Lactam
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Carboxylic acid derivative
Azacycle
Secondary aliphatic amine
Secondary amine
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Amine
Organooxygen compound
Organonitrogen 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	2.07	ChemAxon
pKa (Strongest Acidic)	4.01	ChemAxon
pKa (Strongest Basic)	5.86	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	113.39 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	152.36 m³·mol⁻¹	ChemAxon
Polarizability	57.25 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	Yes	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

C00052187

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

139584801

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yan D, Chen Q, Gao J, Bai J, Liu B, Zhang Y, Zhang L, Zhang C, Zou Y, Hu Y: Complexity and Diversity Generation in the Biosynthesis of Fumiquinazoline-Related Peptidyl Alkaloids. Org Lett. 2019 Mar 1;21(5):1475-1479. doi: 10.1021/acs.orglett.9b00260. Epub 2019 Feb 14. [PubMed:30762374 ]
LOTUS database [Link]

Showing NP-Card for (1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione (NP0197378)

MOL for NP0197378 ((1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione)

3D MOL for NP0197378 ((1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione)

3D SDF for NP0197378 ((1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione)

3D-SDF for NP0197378 ((1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione)

PDB for NP0197378 ((1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione)

3D PDB for NP0197378 ((1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione)

SMILES for NP0197378 ((1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione)

INCHI for NP0197378 ((1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione)

Structure for NP0197378 ((1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione)

3D Structure for NP0197378 ((1'r,2r,9r,9as,12'r)-15'-hydroxy-2-(1h-indol-3-ylmethyl)-12'-methyl-2,9a-dihydro-1h-2',10',16'-triazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane]-4',6',8',10',15'-pentaene-3,3'-dione)