NP-MRD: Showing NP-Card for (1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate (NP0254117)

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Record Information

Version

1.0

Created at

2022-09-07 18:10:43 UTC

Updated at

2022-09-07 18:10:43 UTC

NP-MRD ID

NP0254117

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate

Description

(R)-(1S,3S,5R,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]Octan-3-yl 3-hydroxy-2-phenylpropanoate belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]Octane. (1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate is found in Datura stramonium. Based on a literature review very few articles have been published on (R)-(1S,3S,5R,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]Octan-3-yl 3-hydroxy-2-phenylpropanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 47  0  0  0  0  0  0  0  0999 V2000
   -4.2031    0.1977    1.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214    0.0309    0.4348 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3930   -0.8274   -0.6941 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9635    0.0773   -1.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7714    1.4929   -1.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6946    1.2643   -0.2087 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3981    0.9803   -0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0165   -0.4680   -0.6210 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3241   -0.7575   -0.7150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0063   -1.0947    0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934   -1.1795    1.5304 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4570   -1.4018    0.6627 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5144   -1.3022    2.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353   -1.5518    2.5529 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929   -0.2521    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462    0.9920    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    2.1164   -0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3201    1.9851   -1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9618    0.7386   -1.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4041   -0.3685   -0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0295   -1.5995   -0.5382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0394   -1.3692   -1.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8121    0.8131    2.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0597    0.7877    0.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4685   -0.7719    1.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0343   -1.6783   -0.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0454   -0.1262   -1.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4291    0.0322   -2.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4421    2.1777   -2.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7024    1.9071   -0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5799    2.1078    0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5184    1.0725   -2.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6258    1.6246   -0.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3175   -0.5291    0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7962   -2.3695    0.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299   -2.1508    2.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -0.3766    2.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948   -2.5193    2.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5440    1.0929    0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824    3.0795   -0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7539    2.8546   -1.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9173    0.6150   -1.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9615   -1.6476   -0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0452   -1.3011   -2.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -2.3977   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8 22  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
  6  2  1  0
 20 15  1  0
 22  3  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  1
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  1
  7 32  1  0
  7 33  1  0
  8 34  1  1
 22 44  1  0
 22 45  1  0
 12 35  1  1
 13 36  1  0
 13 37  1  0
 14 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 21 43  1  0
M  END


  Mrv1652309072220112D          

 22 24  0  0  1  0            999 V2000
    0.3528    4.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542    4.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    5.3262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0072    5.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4197    4.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183    3.7208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3299    3.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    3.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    3.5298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    2.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    2.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    2.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    2.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096    2.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    1.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951    0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    1.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134    4.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  6  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
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0254117

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C1=CC=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C17H23NO4/c1-18-11-6-7-12(18)9-13(8-11)22-17(21)15(10-19)14-4-2-3-5-16(14)20/h2-5,11-13,15,19-20H,6-10H2,1H3/t11-,12+,13?,15?

> <INCHI_KEY>
PZDZDORSRAYCMZ-DOOHLRMFSA-N

> <FORMULA>
C17H23NO4

> <MOLECULAR_WEIGHT>
305.374

> <EXACT_MASS>
305.162708225

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
32.04065454190866

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate

> <JCHEM_LOGP>
0.5539114133169584

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
15.190494568926919

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.995572753524272

> <JCHEM_PKA_STRONGEST_BASIC>
9.612792806667752

> <JCHEM_POLAR_SURFACE_AREA>
70.0

> <JCHEM_REFRACTIVITY>
82.7973

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate

> <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       0.659   7.907   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -0.848   8.228   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -0.357   9.942   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.880   9.713   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.650   8.379   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.087   6.945   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.616   6.492   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.657   7.359   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.990   6.589   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.990   5.049   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.657   4.279   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       3.324   4.279   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.658   5.049   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       5.991   4.279   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.324   2.739   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.658   1.969   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.658   0.429   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.324  -0.341   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.990   0.429   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.990   1.969   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.657   2.739   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.772   8.895   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    2    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   22                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   15   21                                                  
CONECT   21   20                                                            
CONECT   22    8    3                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
(R)-(1S,3S,5R,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoic acid	Generator

Chemical Formula

C₁₇H₂₃NO₄

Average Mass

305.3740 Da

Monoisotopic Mass

305.16271 Da

IUPAC Name

(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate

Traditional Name

(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate

CAS Registry Number

Not Available

SMILES

CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C1=CC=CC=C1O

InChI Identifier

InChI=1S/C17H23NO4/c1-18-11-6-7-12(18)9-13(8-11)22-17(21)15(10-19)14-4-2-3-5-16(14)20/h2-5,11-13,15,19-20H,6-10H2,1H3/t11-,12+,13?,15?

InChI Key

PZDZDORSRAYCMZ-DOOHLRMFSA-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
Datura stramonium	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]Octane.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Tropane alkaloids

Sub Class

Not Available

Direct Parent

Tropane alkaloids

Alternative Parents

Substituents

Tropane alkaloid
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Beta-hydroxy acid
Phenol
Monocyclic benzene moiety
Hydroxy acid
Benzenoid
N-alkylpyrrolidine
Piperidine
Pyrrolidine
Amino acid or derivatives
Carboxylic acid ester
Tertiary aliphatic amine
Tertiary amine
Carboxylic acid derivative
Azacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Organic nitrogen compound
Amine
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Primary alcohol
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	0.55	ChemAxon
pKa (Strongest Acidic)	9	ChemAxon
pKa (Strongest Basic)	9.61	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	70 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	82.8 m³·mol⁻¹	ChemAxon
Polarizability	32.04 Å³	ChemAxon
Number of Rings	3	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

91798509

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate (NP0254117)

MOL for NP0254117 ((1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate)

3D MOL for NP0254117 ((1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate)

3D SDF for NP0254117 ((1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate)

3D-SDF for NP0254117 ((1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate)

PDB for NP0254117 ((1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate)

3D PDB for NP0254117 ((1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate)

SMILES for NP0254117 ((1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate)

INCHI for NP0254117 ((1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate)

Structure for NP0254117 ((1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate)

3D Structure for NP0254117 ((1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(2-hydroxyphenyl)propanoate)