NP-MRD: Showing NP-Card for 2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid (NP0217433)

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Record Information

Version

2.0

Created at

2022-09-05 17:46:48 UTC

Updated at

2022-09-05 17:46:48 UTC

NP-MRD ID

NP0217433

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid

Description

Halocyamine A belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid is found in Halocynthia roretzi. 2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid was first documented in 2017 (PMID: 28695949). Based on a literature review very few articles have been published on Halocyamine A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052219462D          

 40 43  0  0  0  0            999 V2000
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   -4.2551   -1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309052219462D          

 40 43  0  0  0  0            999 V2000
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    4.0668    0.1271    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 14 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  4  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  4  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 31 40  1  0  0  0  0
 34 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0217433

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC(CC1=CN=CN1)C(O)=NC(CC1=CC=C(O)C(O)=C1)C(O)=NCC(O)=N\C=C\C1=CNC2=CC(Br)=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C27H28BrN7O5/c28-17-2-3-19-16(11-32-21(19)9-17)5-6-31-25(38)13-33-27(40)22(7-15-1-4-23(36)24(37)8-15)35-26(39)20(29)10-18-12-30-14-34-18/h1-6,8-9,11-12,14,20,22,32,36-37H,7,10,13,29H2,(H,30,34)(H,31,38)(H,33,40)(H,35,39)/b6-5+

> <INCHI_KEY>
CPVIHXZWYJGUHZ-AATRIKPKSA-N

> <FORMULA>
C27H28BrN7O5

> <MOLECULAR_WEIGHT>
610.469

> <EXACT_MASS>
609.13353

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
59.65560891786138

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-N-{1-[({[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-C-hydroxycarbonimidoyl}methyl)-C-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(1H-imidazol-5-yl)propanimidic acid

> <JCHEM_LOGP>
-3.800526543602779

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
2.9867953253990875

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.5019715188529164

> <JCHEM_PKA_STRONGEST_BASIC>
10.982963511691667

> <JCHEM_POLAR_SURFACE_AREA>
208.71999999999994

> <JCHEM_REFRACTIVITY>
153.19469999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-N-{1-[({[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-C-hydroxycarbonimidoyl}methyl)-C-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3H-imidazol-4-yl)propanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  N   UNK     0      -9.449  -3.646   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -7.943  -3.325   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.467  -1.861   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.498  -0.716   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.029  -0.877   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0     -10.655   0.530   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -9.511   1.560   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -8.177   0.790   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -6.912  -4.470   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -5.406  -4.150   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      -7.388  -5.934   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -6.358  -7.079   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.834  -8.544   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.803  -9.688   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.297  -9.368   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.267 -10.512   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.742 -11.977   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -2.712 -13.121   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -5.249 -12.297   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -5.725 -13.762   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -6.279 -11.153   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.852  -6.759   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -4.376  -5.294   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      -3.821  -7.903   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      -2.315  -7.583   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.839  -6.118   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.869  -4.974   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0      -0.333  -5.798   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       0.143  -4.334   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   37 Br   UNK     0       7.591   0.237   0.000  0.00  0.00          Br+0
HETATM   38  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    4                                                       
CONECT    9    2   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   22                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   14                                                       
CONECT   22   12   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   40                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   40                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   31   34                                                  
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Value	Source
Histidyl-6,7-dihydroxyphenylalanylglycyl-6-bromo-8,9-didehydrotryptamine	MeSH

Chemical Formula

C₂₇H₂₈BrN₇O₅

Average Mass

610.4690 Da

Monoisotopic Mass

609.13353 Da

IUPAC Name

2-amino-N-{1-[({[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-C-hydroxycarbonimidoyl}methyl)-C-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(1H-imidazol-5-yl)propanimidic acid

Traditional Name

2-amino-N-{1-[({[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-C-hydroxycarbonimidoyl}methyl)-C-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3H-imidazol-4-yl)propanimidic acid

CAS Registry Number

Not Available

SMILES

NC(CC1=CN=CN1)C(O)=NC(CC1=CC=C(O)C(O)=C1)C(O)=NCC(O)=N\C=C\C1=CNC2=CC(Br)=CC=C12

InChI Identifier

InChI=1S/C27H28BrN7O5/c28-17-2-3-19-16(11-32-21(19)9-17)5-6-31-25(38)13-33-27(40)22(7-15-1-4-23(36)24(37)8-15)35-26(39)20(29)10-18-12-30-14-34-18/h1-6,8-9,11-12,14,20,22,32,36-37H,7,10,13,29H2,(H,30,34)(H,31,38)(H,33,40)(H,35,39)/b6-5+

InChI Key

CPVIHXZWYJGUHZ-AATRIKPKSA-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
Halocynthia roretzi	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Tyrosine or derivatives
Phenylalanine or derivatives
Histidine or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
Indole
Indole or derivatives
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aralkylamine
Benzenoid
Substituted pyrrole
Fatty acyl
Monocyclic benzene moiety
Aryl bromide
Fatty amide
Aryl halide
Imidazole
Heteroaromatic compound
Pyrrole
Azole
Secondary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Organoheterocyclic compound
Azacycle
Organic nitrogen compound
Primary aliphatic amine
Organohalogen compound
Carbonyl group
Organobromide
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Amine
Organopnictogen compound
Organic oxygen 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	-3.8	ChemAxon
pKa (Strongest Acidic)	-3.5	ChemAxon
pKa (Strongest Basic)	10.98	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	208.72 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	153.19 m³·mol⁻¹	ChemAxon
Polarizability	59.66 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

4751085

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5926075

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Fong HKH, Brunel JM, Longeon A, Bourguet-Kondracki ML, Barker D, Copp BR: Synthesis and biological evaluation of the ascidian blood-pigment halocyamine A. Org Biomol Chem. 2017 Jul 26;15(29):6194-6204. doi: 10.1039/c7ob01122a. [PubMed:28695949 ]
LOTUS database [Link]

Showing NP-Card for 2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid (NP0217433)

MOL for NP0217433 (2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid)

3D MOL for NP0217433 (2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid)

3D SDF for NP0217433 (2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid)

3D-SDF for NP0217433 (2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid)

PDB for NP0217433 (2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid)

3D PDB for NP0217433 (2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid)

SMILES for NP0217433 (2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid)

INCHI for NP0217433 (2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid)

Structure for NP0217433 (2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid)

3D Structure for NP0217433 (2-amino-n-{1-[({[(1e)-2-(6-bromo-1h-indol-3-yl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(3h-imidazol-4-yl)propanimidic acid)