NP-MRD: Showing NP-Card for 2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid (NP0240881)

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Record Information

Version

2.0

Created at

2022-09-07 00:48:16 UTC

Updated at

2022-09-07 00:48:16 UTC

NP-MRD ID

NP0240881

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid

Description

2-{1-[4,7,9B-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-1H,2H,3H,3aH,5aH,6H,7H,8H,9H,9aH,9bH-cyclopenta[a]naphthalen-2-yl]-N-methylformamido}-3-hydroxypropanoic acid belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on 2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-1H,2H,3H,3aH,5aH,6H,7H,8H,9H,9aH,9bH-cyclopenta[a]naphthalen-2-yl]-N-methylformamido}-3-hydroxypropanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072202482D          

 32 34  0  0  0  0            999 V2000
   -2.9435   -2.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589   -3.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -2.4532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9874   -3.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2027   -4.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -4.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2775   -5.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369   -4.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514   -5.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369   -3.9721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2775   -3.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514   -3.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514   -2.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -2.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -3.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5803   -3.5596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -4.7971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3638   -6.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2493   -6.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707   -6.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5832   -6.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707   -7.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5832   -8.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082   -8.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207   -9.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4082   -6.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207   -6.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082   -5.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207   -4.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5832   -5.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  4  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
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  7 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 22 23  1  0  0  0  0
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 30 32  1  0  0  0  0
  6 32  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

     RDKit          3D

 67 69  0  0  0  0  0  0  0  0999 V2000
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   -2.6668   -3.6703   -0.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8067   -0.8207   -1.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0570   -1.0635   -2.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5847   -0.0371   -0.5424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2631   -0.6671    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -1.8337    0.2988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8563    0.1536   -0.4896 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4680    0.6438   -1.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265    1.3132    0.5234 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6260    0.9642    1.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5776    1.9213    2.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3558   -0.1303    1.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920   -1.1634    0.8322 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9684   -1.5618    0.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6310   -3.2667   -0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8079   -3.2387   -2.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309072202482D          

 32 34  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
NP0240881

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCC2C(C1)C=C(C)C1C(C=CC(C)=O)C(C(=O)N(C)C(CO)C(O)=O)C(=O)C21C

> <INCHI_IDENTIFIER>
InChI=1S/C25H35NO6/c1-13-6-9-18-16(10-13)11-14(2)21-17(8-7-15(3)28)20(22(29)25(18,21)4)23(30)26(5)19(12-27)24(31)32/h7-8,11,13,16-21,27H,6,9-10,12H2,1-5H3,(H,31,32)

> <INCHI_KEY>
ARANVBSJVTTXRP-UHFFFAOYSA-N

> <FORMULA>
C25H35NO6

> <MOLECULAR_WEIGHT>
445.556

> <EXACT_MASS>
445.246437851

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
48.391961159583545

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-1H,2H,3H,3aH,5aH,6H,7H,8H,9H,9aH,9bH-cyclopenta[a]naphthalen-2-yl]-N-methylformamido}-3-hydroxypropanoic acid

> <JCHEM_LOGP>
2.581254687666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.041001810036821

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6632704108189906

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8328592595213435

> <JCHEM_POLAR_SURFACE_AREA>
111.98000000000002

> <JCHEM_REFRACTIVITY>
121.20439999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2H,3H,3aH,5aH,6H,7H,8H,9H,9aH-cyclopenta[a]naphthalen-2-yl]-N-methylformamido}-3-hydroxypropanoic acid

> <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      -5.495  -5.134   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.030  -5.610   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -2.885  -4.579   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -3.710  -7.116   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.245  -7.592   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.925  -9.098   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.518  -9.725   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.816  -8.955   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.149  -9.725   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       0.816  -7.415   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -0.518  -6.645   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.149  -6.645   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.149  -5.105   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.483  -4.335   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.483  -7.415   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.817  -6.645   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       3.483  -8.955   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.679 -11.256   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.465 -12.287   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.185 -11.576   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.280 -12.822   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.955 -12.910   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.185 -14.244   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.955 -15.577   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.495 -15.577   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.265 -16.911   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.265 -14.244   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.495 -12.910   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.265 -11.576   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.495 -10.243   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -5.265  -8.909   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.955 -10.243   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   32                                                  
CONECT    7    6    8   18                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18    7   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22   32                                             
CONECT   21   20                                                            
CONECT   22   20   23   28                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   22   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30    6   20                                                  
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END

View in JSmol

Synonyms

Value	Source
2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-1H,2H,3H,3ah,5ah,6H,7H,8H,9H,9ah,9BH-cyclopenta[a]naphthalen-2-yl]-N-methylformamido}-3-hydroxypropanoate	Generator

Chemical Formula

C₂₅H₃₅NO₆

Average Mass

445.5560 Da

Monoisotopic Mass

445.24644 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1CCC2C(C1)C=C(C)C1C(C=CC(C)=O)C(C(=O)N(C)C(CO)C(O)=O)C(=O)C21C

InChI Identifier

InChI=1S/C25H35NO6/c1-13-6-9-18-16(10-13)11-14(2)21-17(8-7-15(3)28)20(22(29)25(18,21)4)23(30)26(5)19(12-27)24(31)32/h7-8,11,13,16-21,27H,6,9-10,12H2,1-5H3,(H,31,32)

InChI Key

ARANVBSJVTTXRP-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Seco-podocarpan diterpenoid
Diterpenoid
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Serine or derivatives
Alpha-amino acid or derivatives
Beta-hydroxy acid
1,3-dicarbonyl compound
Hydroxy acid
Alpha,beta-unsaturated ketone
Tertiary carboxylic acid amide
Enone
Acryloyl-group
Ketone
Carboxamide group
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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

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

162816235

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid (NP0240881)

MOL for NP0240881 (2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid)

3D MOL for NP0240881 (2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid)

3D SDF for NP0240881 (2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid)

3D-SDF for NP0240881 (2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid)

PDB for NP0240881 (2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid)

3D PDB for NP0240881 (2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid)

SMILES for NP0240881 (2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid)

INCHI for NP0240881 (2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid)

Structure for NP0240881 (2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid)

3D Structure for NP0240881 (2-{1-[4,7,9b-trimethyl-1-oxo-3-(3-oxobut-1-en-1-yl)-2h,3h,3ah,5ah,6h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-2-yl]-n-methylformamido}-3-hydroxypropanoic acid)