NP-MRD: Showing NP-Card for 2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid (NP0233501)

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Record Information

Version

2.0

Created at

2022-09-06 15:07:40 UTC

Updated at

2022-09-06 15:07:41 UTC

NP-MRD ID

NP0233501

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid

Description

2-{[(6-Bromo-1H-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-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. Based on a literature review very few articles have been published on 2-{[(6-bromo-1H-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 42  0  0  0  0  0  0  0  0999 V2000
   -5.9056    1.8341    1.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9004    1.6501    2.0605 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1401    1.3603    1.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5594    1.2547   -0.3184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522    1.3091   -1.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540    0.7346   -0.2250 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2622   -0.7573   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.4601    0.3947 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1022   -0.9407    0.1979 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.9614   -0.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -1.5318   -2.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0816   -0.4037   -1.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665   -0.3646   -2.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0491    0.2282   -1.8507 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0208    0.5696   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9224    1.1844    0.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6850    1.4379    1.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9890    2.3017    2.7399 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4643    1.0416    2.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062    0.4108    1.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7907    0.1790    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3109   -2.9142    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3932   -3.5385    0.2322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2061   -3.6407   -0.2988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    1.0978    1.0933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5526    1.1566   -0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214    2.3786   -1.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4381    0.7522   -2.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076    1.2074   -0.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1079   -0.9668   -1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483   -1.1425   -0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4541   -1.3437    1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6202   -1.9746   -2.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708   -0.7513   -3.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    0.4075   -2.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8732    1.4870   -0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2462    1.2271    3.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    0.1096    1.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6164   -3.7841    0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1747    1.1558    1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
 24 22  1  0
 22 23  2  0
 22  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  3 25  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 25  6  1  0
 21 12  1  0
 21 15  1  0
 24 39  1  0
  8 32  1  1
  7 30  1  0
  7 31  1  0
  6 29  1  6
  5 27  1  0
  5 28  1  0
  4 26  1  0
  2  1  1  0
 25 40  1  0
 11 33  1  0
 13 34  1  0
 14 35  1  0
 16 36  1  0
 19 37  1  0
 20 38  1  0
M  END


  Mrv1652309062217072D          

 24 26  0  0  0  0            999 V2000
   -0.9851   -6.1818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -5.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -5.1422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -4.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -4.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851   -3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -3.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -2.3215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -2.7631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.3739   -3.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809   -3.5477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190   -4.5039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7551   -4.7297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  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  7  1  0  0  0  0
  8  7  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  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  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 11 20  1  0  0  0  0
 14 20  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  5 24  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0233501

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(=O)C(CC1CNC(=N)N1)N=C(O)C1=CNC2=CC(Br)=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C15H16BrN5O3/c16-7-1-2-9-10(6-18-11(9)3-7)13(22)21-12(14(23)24)4-8-5-19-15(17)20-8/h1-3,6,8,12,18H,4-5H2,(H,21,22)(H,23,24)(H3,17,19,20)

> <INCHI_KEY>
UISROLYEXAVQEQ-UHFFFAOYSA-N

> <FORMULA>
C15H16BrN5O3

> <MOLECULAR_WEIGHT>
394.229

> <EXACT_MASS>
393.043652

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
35.63440322411515

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{[(6-bromo-1H-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid

> <JCHEM_LOGP>
-0.12989189912653182

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
7.575873357185001

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9878635168035874

> <JCHEM_PKA_STRONGEST_BASIC>
11.553288742585195

> <JCHEM_POLAR_SURFACE_AREA>
133.58999999999997

> <JCHEM_REFRACTIVITY>
101.0996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-{[(6-bromo-1H-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  N   UNK     0      -1.839 -11.539   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -2.315 -10.075   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -3.779  -9.599   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -3.779  -8.059   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.315  -7.583   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.839  -6.118   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.333  -5.798   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       0.143  -4.334   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.680  -5.158   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   17 Br   UNK     0       7.591   0.237   0.000  0.00  0.00          Br+0
HETATM   18  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.698  -6.943   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.204  -6.622   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.222  -8.407   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      -1.410  -8.829   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   24                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   24                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   21                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   20                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   20                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   11   14                                                  
CONECT   21    7   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24    5    2                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
2-{[(6-bromo-1H-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoate	Generator

Chemical Formula

C₁₅H₁₆BrN₅O₃

Average Mass

394.2290 Da

Monoisotopic Mass

393.04365 Da

IUPAC Name

2-{[(6-bromo-1H-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid

Traditional Name

2-{[(6-bromo-1H-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid

CAS Registry Number

Not Available

SMILES

OC(=O)C(CC1CNC(=N)N1)N=C(O)C1=CNC2=CC(Br)=CC=C12

InChI Identifier

InChI=1S/C15H16BrN5O3/c16-7-1-2-9-10(6-18-11(9)3-7)13(22)21-12(14(23)24)4-8-5-19-15(17)20-8/h1-3,6,8,12,18H,4-5H2,(H,21,22)(H,23,24)(H3,17,19,20)

InChI Key

UISROLYEXAVQEQ-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 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
Indolecarboxylic acid derivative
Indolecarboxamide derivative
Indole or derivatives
Indole
Pyrrole-3-carboxamide
Pyrrole-3-carboxylic acid or derivatives
Aryl bromide
Aryl halide
Substituted pyrrole
Benzenoid
Pyrrole
Heteroaromatic compound
Imidazolidine
Vinylogous amide
Secondary carboxylic acid amide
Guanidine
Carboxamide group
Monocarboxylic acid or derivatives
Azacycle
Carboxylic acid
Carboximidamide
Organoheterocyclic compound
Organic nitrogen compound
Organohalogen compound
Organobromide
Organonitrogen compound
Imine
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
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	-0.13	ChemAxon
pKa (Strongest Acidic)	2.99	ChemAxon
pKa (Strongest Basic)	11.55	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	133.59 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	101.1 m³·mol⁻¹	ChemAxon
Polarizability	35.63 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

162899826

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid (NP0233501)

MOL for NP0233501 (2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid)

3D MOL for NP0233501 (2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid)

3D SDF for NP0233501 (2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid)

3D-SDF for NP0233501 (2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid)

PDB for NP0233501 (2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid)

3D PDB for NP0233501 (2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid)

SMILES for NP0233501 (2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid)

INCHI for NP0233501 (2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid)

Structure for NP0233501 (2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid)

3D Structure for NP0233501 (2-{[(6-bromo-1h-indol-3-yl)(hydroxy)methylidene]amino}-3-(2-iminoimidazolidin-4-yl)propanoic acid)