NP-MRD: Showing NP-Card for 3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid (NP0265155)

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Record Information

Version

2.0

Created at

2022-09-08 09:01:58 UTC

Updated at

2022-09-08 09:01:58 UTC

NP-MRD ID

NP0265155

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid

Description

3-Acetyl-6-[(4,5-dibromo-1-methyl-1H-pyrrol-2-yl)formamido]-3-hydroxyhexanoic acid belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. 3-Acetyl-6-[(4,5-dibromo-1-methyl-1H-pyrrol-2-yl)formamido]-3-hydroxyhexanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 41  0  0  0  0  0  0  0  0999 V2000
   -2.0445    2.0243    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0946    1.0280   -1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8895    1.4922   -2.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3580   -0.4066   -0.9002 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4882   -0.9208   -2.2241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2246   -1.1577   -0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9104   -0.7875    1.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2493   -1.6814    1.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4233   -1.5154    0.7820 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0743   -0.2745    0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445    0.7090    1.3243 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2612   -0.1255   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8925   -1.0894   -0.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9881   -0.5493   -1.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130   -1.4343   -2.7361 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0213    0.7704   -1.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3475    2.0091   -1.7347 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9938    0.9999   -0.3169 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6901    2.2627    0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6382   -0.7058   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7965    0.0007   -0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9668    1.2156   -0.4520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7081   -0.6256   -1.5329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0222    2.3855    0.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6076    2.9620   -0.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860    1.6329    1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9919   -0.2189   -2.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4711   -2.2477   -0.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097   -0.9641   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.2612    1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7362   -0.9873    1.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457   -1.4329    2.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1371   -2.7128    1.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7553   -2.3679    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740   -2.1150   -1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5323    2.0773    1.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5427    2.9605    0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495    2.6942   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4807   -0.4862    0.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8266   -1.7886   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6261   -0.8902   -1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 16  1  0
 16 17  1  0
 16 14  2  0
 14 15  1  0
 14 13  1  0
 13 12  2  0
 12 10  1  0
 10 11  2  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  4  1  0
  4  5  1  6
  4 20  1  0
 20 21  1  0
 21 23  1  0
 21 22  2  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
 12 18  1  0
 19 36  1  0
 19 37  1  0
 19 38  1  0
 13 35  1  0
  9 34  1  0
  8 32  1  0
  8 33  1  0
  7 30  1  0
  7 31  1  0
  6 28  1  0
  6 29  1  0
  5 27  1  0
 20 39  1  0
 20 40  1  0
 23 41  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
M  END


  Mrv1533004251502422D          

 23 23  0  0  0  0            999 V2000
   -1.5757    3.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882    4.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8132    4.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    4.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1632    5.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    4.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    5.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    6.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0046    6.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    6.4768    0.0000 O   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
  2  4  1  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
  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0265155

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C(Br)=C(Br)C=C1C(=O)NCCCC(O)(CC(O)=O)C(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H18Br2N2O5/c1-8(19)14(23,7-11(20)21)4-3-5-17-13(22)10-6-9(15)12(16)18(10)2/h6,23H,3-5,7H2,1-2H3,(H,17,22)(H,20,21)

> <INCHI_KEY>
HHNVUTCHBCYOOP-UHFFFAOYSA-N

> <FORMULA>
C14H18Br2N2O5

> <MOLECULAR_WEIGHT>
454.115

> <EXACT_MASS>
451.958248

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
37.56255739255563

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-acetyl-6-[(4,5-dibromo-1-methyl-1H-pyrrol-2-yl)formamido]-3-hydroxyhexanoic acid

> <ALOGPS_LOGP>
1.71

> <JCHEM_LOGP>
1.2067237143333336

> <ALOGPS_LOGS>
-3.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.060356234962008

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.8553521858784725

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2045552291516222

> <JCHEM_POLAR_SURFACE_AREA>
108.63000000000001

> <JCHEM_REFRACTIVITY>
90.52569999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.01e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid

> <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      -2.941   6.343   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.711   7.676   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -5.251   7.676   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -2.941   9.010   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -2.171  10.344   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -1.608   8.240   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.608   6.700   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.274   5.930   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -0.274   4.390   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.393   4.390   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM   15 Br   UNK     0       2.735  -1.536   0.000  0.00  0.00          Br+0
HETATM   16  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM   17 Br   UNK     0      -0.615  -1.536   0.000  0.00  0.00          Br+0
HETATM   18  N   UNK     0      -0.186   1.175   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -1.651   1.651   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.275   9.780   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.275  11.320   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -5.609  12.090   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.941  12.090   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6   20                                             
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   12   19                                                  
CONECT   19   18                                                            
CONECT   20    4   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
3-Acetyl-6-[(4,5-dibromo-1-methyl-1H-pyrrol-2-yl)formamido]-3-hydroxyhexanoate	Generator

Chemical Formula

C₁₄H₁₈Br₂N₂O₅

Average Mass

454.1150 Da

Monoisotopic Mass

451.95825 Da

IUPAC Name

3-acetyl-6-[(4,5-dibromo-1-methyl-1H-pyrrol-2-yl)formamido]-3-hydroxyhexanoic acid

Traditional Name

3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid

CAS Registry Number

Not Available

SMILES

CN1C(Br)=C(Br)C=C1C(=O)NCCCC(O)(CC(O)=O)C(C)=O

InChI Identifier

InChI=1S/C14H18Br2N2O5/c1-8(19)14(23,7-11(20)21)4-3-5-17-13(22)10-6-9(15)12(16)18(10)2/h6,23H,3-5,7H2,1-2H3,(H,17,22)(H,20,21)

InChI Key

HHNVUTCHBCYOOP-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 medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Keto acids and derivatives

Sub Class

Medium-chain keto acids and derivatives

Direct Parent

Medium-chain keto acids and derivatives

Alternative Parents

Substituents

Medium-chain keto acid
2-heteroaryl carboxamide
Gamma-keto acid
Pyrrole-2-carboxamide
Pyrrole-2-carboxylic acid or derivatives
Hydroxy fatty acid
Heterocyclic fatty acid
Halogenated fatty acid
Branched fatty acid
Acyloin
N-methylpyrrole
Aryl bromide
Aryl halide
Fatty acyl
Substituted pyrrole
Heteroaromatic compound
Pyrrole
Alpha-hydroxy ketone
Tertiary alcohol
Ketone
Carboxamide group
Secondary carboxylic acid amide
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Alcohol
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organobromide
Organohalogen compound
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	1.71	ALOGPS
logP	1.21	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	3.86	ChemAxon
pKa (Strongest Basic)	-1.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	108.63 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	90.53 m³·mol⁻¹	ChemAxon
Polarizability	37.56 Å³	ChemAxon
Number of Rings	1	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

46231990

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid (NP0265155)

MOL for NP0265155 (3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid)

3D MOL for NP0265155 (3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid)

3D SDF for NP0265155 (3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid)

3D-SDF for NP0265155 (3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid)

PDB for NP0265155 (3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid)

3D PDB for NP0265155 (3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid)

SMILES for NP0265155 (3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid)

INCHI for NP0265155 (3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid)

Structure for NP0265155 (3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid)

3D Structure for NP0265155 (3-acetyl-6-[(4,5-dibromo-1-methylpyrrol-2-yl)formamido]-3-hydroxyhexanoic acid)