NP-MRD: Showing NP-Card for (2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid (NP0313203)

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Record Information

Version

2.0

Created at

2022-09-11 10:35:17 UTC

Updated at

2022-09-11 10:35:17 UTC

NP-MRD ID

NP0313203

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid

Description

(2S)-2-[(4-bromo-1H-pyrrol-2-yl)formamido]-3-[(5S)-1,5-dimethyl-4,5-dihydro-1H-imidazol-5-yl]propanoic acid belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. (2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid is found in Agelas clathrodes. Based on a literature review very few articles have been published on (2S)-2-[(4-bromo-1H-pyrrol-2-yl)formamido]-3-[(5S)-1,5-dimethyl-4,5-dihydro-1H-imidazol-5-yl]propanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 39  0  0  0  0  0  0  0  0999 V2000
   -3.8780    0.0227   -0.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5740    0.6513   -0.6507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853    1.2431   -1.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8863    2.0028   -1.1806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967    1.9853    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002    0.8175    0.5714 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8740    1.2845    1.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2071   -0.4089    1.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2492   -1.2262    0.3103 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9936   -0.6616   -0.0790 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692   -1.0536    0.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2746   -1.9568    1.3065 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5099   -0.4494    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7572   -0.7867    0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6843    0.0143   -0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5685    0.0083    0.0671 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9722    0.8218   -1.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6827    0.5269   -0.8892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9012   -2.0029   -0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551   -2.0697   -1.8954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1032   -2.6505   -0.5786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7021    0.7799   -0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0021   -0.7402   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9635   -0.4334   -1.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9920    1.0198   -2.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0523    2.1335    0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885    2.9214    0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3669    1.6231    2.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5307    2.0310    1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4290    0.3560    1.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0496   -1.1164    1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7482   -0.2045    2.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0573   -2.0570    1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145    0.0859   -0.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0367   -1.5298    1.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4220    1.5523   -1.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9349    1.0270   -1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1425   -3.5606   -0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
  9 19  1  0
 19 21  1  0
 19 20  2  0
  6  2  1  0
 18 13  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  5 26  1  0
  5 27  1  0
  7 28  1  0
  7 29  1  0
  7 30  1  0
  8 31  1  0
  8 32  1  0
  9 33  1  1
 10 34  1  0
 14 35  1  0
 17 36  1  0
 18 37  1  0
 21 38  1  0
M  END


  Mrv1652309112212352D          

 21 22  0  0  1  0            999 V2000
    2.1427    1.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9478    1.1961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    1.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2768    1.3217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968    0.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755    0.4389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2582   -0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610    0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610   -0.7986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8465   -1.2111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465   -2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610   -2.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321   -2.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458   -3.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389   -3.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0967   -4.1943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1736   -2.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3784   -2.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755   -1.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755   -2.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899   -0.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0313203

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C=NC[C@]1(C)C[C@H](NC(=O)C1=CC(Br)=CN1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H17BrN4O3/c1-13(6-15-7-18(13)2)4-10(12(20)21)17-11(19)9-3-8(14)5-16-9/h3,5,7,10,16H,4,6H2,1-2H3,(H,17,19)(H,20,21)/t10-,13-/m0/s1

> <INCHI_KEY>
ANULMRIBANGUFA-GWCFXTLKSA-N

> <FORMULA>
C13H17BrN4O3

> <MOLECULAR_WEIGHT>
357.208

> <EXACT_MASS>
356.048403

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
31.82251133210845

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(4-bromo-1H-pyrrol-2-yl)formamido]-3-[(5S)-1,5-dimethyl-4,5-dihydro-1H-imidazol-5-yl]propanoic acid

> <JCHEM_LOGP>
-1.327793813131436

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.219152539747693

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.799268791122922

> <JCHEM_PKA_STRONGEST_BASIC>
9.484744863392834

> <JCHEM_POLAR_SURFACE_AREA>
97.79

> <JCHEM_REFRACTIVITY>
80.4785

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(4-bromo-1H-pyrrol-2-yl)formamido]-3-[(4S)-3,4-dimethyl-5H-imidazol-4-yl]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       4.000   2.569   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       5.503   2.233   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       6.658   3.251   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       7.983   2.467   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       7.647   0.964   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.114   0.819   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.082  -0.720   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.781   0.049   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.781  -1.491   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       3.447  -2.261   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       3.447  -3.801   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.781  -4.571   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.113  -4.571   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.952  -6.102   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.446  -6.422   0.000  0.00  0.00           C+0
HETATM   16 Br   UNK     0      -0.181  -7.829   0.000  0.00  0.00          Br+0
HETATM   17  C   UNK     0      -0.324  -5.089   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       0.706  -3.944   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       6.114  -2.261   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.114  -3.801   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       7.448  -1.491   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    2    7    8                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   19                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   13                                                       
CONECT   19    9   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Value	Source
(2S)-2-[(4-Bromo-1H-pyrrol-2-yl)formamido]-3-[(5S)-1,5-dimethyl-4,5-dihydro-1H-imidazol-5-yl]propanoate	Generator

Chemical Formula

C₁₃H₁₇BrN₄O₃

Average Mass

357.2080 Da

Monoisotopic Mass

356.04840 Da

IUPAC Name

(2S)-2-[(4-bromo-1H-pyrrol-2-yl)formamido]-3-[(5S)-1,5-dimethyl-4,5-dihydro-1H-imidazol-5-yl]propanoic acid

Traditional Name

(2S)-2-[(4-bromo-1H-pyrrol-2-yl)formamido]-3-[(4S)-3,4-dimethyl-5H-imidazol-4-yl]propanoic acid

CAS Registry Number

Not Available

SMILES

CN1C=NC[C@]1(C)C[C@H](NC(=O)C1=CC(Br)=CN1)C(O)=O

InChI Identifier

InChI=1S/C13H17BrN4O3/c1-13(6-15-7-18(13)2)4-10(12(20)21)17-11(19)9-3-8(14)5-16-9/h3,5,7,10,16H,4,6H2,1-2H3,(H,17,19)(H,20,21)/t10-,13-/m0/s1

InChI Key

ANULMRIBANGUFA-GWCFXTLKSA-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
Agelas clathrodes	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Substituents

N-acyl-alpha-amino acid
2-heteroaryl carboxamide
Imidazolyl carboxylic acid derivative
Pyrrole-2-carboxamide
Pyrrole-2-carboxylic acid or derivatives
Aryl bromide
Aryl halide
Substituted pyrrole
2-imidazoline
Heteroaromatic compound
Pyrrole
Carboxamide group
Secondary carboxylic acid amide
Amidine
Formamidine
Carboxylic acid amidine
Carboxylic acid
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Hydrocarbon derivative
Amine
Carbonyl group
Organohalogen compound
Organobromide
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Organic nitrogen 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	-1.3	ChemAxon
pKa (Strongest Acidic)	2.8	ChemAxon
pKa (Strongest Basic)	9.48	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	97.79 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	80.48 m³·mol⁻¹	ChemAxon
Polarizability	31.82 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

Not Available

Chemspider ID

8423210

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10247723

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid (NP0313203)

MOL for NP0313203 ((2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid)

3D MOL for NP0313203 ((2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid)

3D SDF for NP0313203 ((2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid)

3D-SDF for NP0313203 ((2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid)

PDB for NP0313203 ((2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid)

3D PDB for NP0313203 ((2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid)

SMILES for NP0313203 ((2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid)

INCHI for NP0313203 ((2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid)

Structure for NP0313203 ((2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid)

3D Structure for NP0313203 ((2s)-2-[(4-bromo-1h-pyrrol-2-yl)formamido]-3-[(4s)-3,4-dimethyl-5h-imidazol-4-yl]propanoic acid)