NP-MRD: Showing NP-Card for 4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid (NP0170262)

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Record Information

Version

2.0

Created at

2022-09-03 06:23:20 UTC

Updated at

2022-09-03 06:23:20 UTC

NP-MRD ID

NP0170262

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid

Description

6-Oxo-6H-3,6a-diazafluoranthene-4-butanoic acid belongs to the class of organic compounds known as indolonaphthyridine alkaloids. These are a numerous and relatively straightforward subgroup of the b-carbolines, e.G. Canthin-6-one, in which an additional C3 unit is attached between C-1 and the indole nitrogen to form an additional ring. The group includes a few dimeric examples, such as Haplophytine. 4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid is found in Picrasma quassioides. Based on a literature review very few articles have been published on 6-Oxo-6H-3,6a-diazafluoranthene-4-butanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 40  0  0  0  0  0  0  0  0999 V2000
    5.3634    0.8832    1.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3754    0.3397    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1414    0.9025   -0.8794 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5780   -0.8769   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1151   -0.6669    0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5164    0.4059   -0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992    0.6024   -0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6327    1.7125    0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7028    1.8959    0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150    2.8873    1.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991    0.9627    0.1752 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9336    0.8101    0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9077    1.5870    0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2373    1.1799    0.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5883    0.0100    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6173   -0.7837   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3131   -0.3784   -0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1498   -0.9499   -0.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7885   -2.0941   -1.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -2.2917   -1.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5272   -1.4223   -1.4856 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1490   -0.3139   -0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1668   -0.0975   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5708    0.3036   -1.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6944   -1.3196   -1.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9332   -1.6325    0.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5259   -1.5952    0.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488   -0.3409    1.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0688    1.3553   -0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6899    0.1855   -1.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3896    2.4319    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6224    2.4976    1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0101    1.7849    1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6185   -0.3092    0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8425   -1.7164   -1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5801   -2.7594   -1.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -3.1893   -2.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  2  1  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 17  2  0
 17 16  1  0
 16 15  2  0
 15 14  1  0
 14 13  2  0
 17 18  1  0
 18 23  1  0
 23 22  2  0
 22 21  1  0
 21 20  2  0
 20 19  1  0
 22  7  1  0
 23 11  1  0
 13 12  1  0
 19 18  2  0
  3 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  8 31  1  0
 16 35  1  0
 15 34  1  0
 14 33  1  0
 13 32  1  0
 20 37  1  0
 19 36  1  0
M  END


  Mrv1652309032208232D          

 23 26  0  0  0  0            999 V2000
   -2.1327   -2.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3257   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7737   -3.0381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2638   -1.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0088   -0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0531    0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600    0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150    1.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4121   -0.1696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2371   -0.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8510   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4920   -0.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8246   -1.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7383   -2.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847   -2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -2.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502   -1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1571   -0.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  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
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 17 18  1  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
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0170262

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(=O)CCCC1=CC(=O)N2C3=C(C=CC=C3)C3=C2C1=NC=C3

> <INCHI_IDENTIFIER>
InChI=1S/C18H14N2O3/c21-15-10-11(4-3-7-16(22)23)17-18-13(8-9-19-17)12-5-1-2-6-14(12)20(15)18/h1-2,5-6,8-10H,3-4,7H2,(H,22,23)

> <INCHI_KEY>
PNMZJHJOLNMFBK-UHFFFAOYSA-N

> <FORMULA>
C18H14N2O3

> <MOLECULAR_WEIGHT>
306.321

> <EXACT_MASS>
306.100442319

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
32.337470025931125

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-{2-oxo-1,6-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid

> <ALOGPS_LOGP>
2.70

> <JCHEM_LOGP>
1.8877303268303045

> <ALOGPS_LOGS>
-3.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.3460443917341784

> <JCHEM_PKA_STRONGEST_BASIC>
3.3655185352606236

> <JCHEM_POLAR_SURFACE_AREA>
72.19

> <JCHEM_REFRACTIVITY>
84.32220000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.38e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-{2-oxo-1,6-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  O   UNK     0      -3.981  -4.847   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.475  -4.527   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.444  -5.671   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -1.999  -3.062   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.492  -2.742   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.017  -1.277   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.490  -0.957   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.966   0.508   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.472   0.828   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       3.948   2.292   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0       4.503  -0.317   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       6.043  -0.317   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.073   0.828   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.579   0.508   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.055  -0.957   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.025  -2.101   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.518  -1.781   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.273  -2.686   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.112  -4.218   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.705  -4.844   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       2.459  -3.939   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       2.520  -2.101   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.027  -1.781   0.000  0.00  0.00           C+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   22                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   23                                                  
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12   18                                                  
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21    7   23                                                  
CONECT   23   22   18   11                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Value	Source
6-oxo-6H-3,6a-Diazafluoranthene-4-butanoate	Generator

Chemical Formula

C₁₈H₁₄N₂O₃

Average Mass

306.3210 Da

Monoisotopic Mass

306.10044 Da

IUPAC Name

4-{2-oxo-1,6-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid

Traditional Name

4-{2-oxo-1,6-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid

CAS Registry Number

Not Available

SMILES

OC(=O)CCCC1=CC(=O)N2C3=C(C=CC=C3)C3=C2C1=NC=C3

InChI Identifier

InChI=1S/C18H14N2O3/c21-15-10-11(4-3-7-16(22)23)17-18-13(8-9-19-17)12-5-1-2-6-14(12)20(15)18/h1-2,5-6,8-10H,3-4,7H2,(H,22,23)

InChI Key

PNMZJHJOLNMFBK-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
Picrasma quassioides	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indolonaphthyridine alkaloids. These are a numerous and relatively straightforward subgroup of the b-carbolines, e.G. Canthin-6-one, in which an additional C3 unit is attached between C-1 and the indole nitrogen to form an additional ring. The group includes a few dimeric examples, such as Haplophytine.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Indolonaphthyridine alkaloids

Sub Class

Not Available

Direct Parent

Indolonaphthyridine alkaloids

Alternative Parents

Substituents

Indolo[3,2-1de][1,5]naphthyridine
Beta-carboline
Pyridoindole
Naphthyridine
Indole
Indole or derivatives
Indolizine
Pyrrolopyridine
Pyridinone
Benzenoid
Pyridine
Heteroaromatic compound
Pyrrole
Lactam
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Carboxylic acid
Monocarboxylic acid or derivatives
Carbonyl group
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Organonitrogen compound
Organooxygen 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	2.7	ALOGPS
logP	1.89	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	4.35	ChemAxon
pKa (Strongest Basic)	3.37	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	72.19 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	84.32 m³·mol⁻¹	ChemAxon
Polarizability	32.34 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

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

25261111

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid (NP0170262)

MOL for NP0170262 (4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid)

3D MOL for NP0170262 (4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid)

3D SDF for NP0170262 (4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid)

3D-SDF for NP0170262 (4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid)

PDB for NP0170262 (4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid)

3D PDB for NP0170262 (4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid)

SMILES for NP0170262 (4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid)

INCHI for NP0170262 (4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid)

Structure for NP0170262 (4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid)

3D Structure for NP0170262 (4-{2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-4-yl}butanoic acid)