NP-MRD: Showing NP-Card for (4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid (NP0295910)

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Record Information

Version

2.0

Created at

2022-09-10 05:11:05 UTC

Updated at

2022-09-10 05:11:05 UTC

NP-MRD ID

NP0295910

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid

Description

Glu-Cys-Cys, also known as e-C-C or L-glu-L-cys-L-cys, 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. Glu-Cys-Cys is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. (4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid is found in Trypanosoma brucei. (4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid was first documented in 2011 (PMID: 21766813). Based on a literature review very few articles have been published on Glu-Cys-Cys.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 40  0  0  0  0  0  0  0  0999 V2000
    2.5292    0.5175    2.3115 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828    0.0216    1.0066 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3605   -0.6165    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4648    0.4050    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5851   -0.2469   -0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.4860   -1.7870 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7171   -0.6065    0.1480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740   -1.0297    1.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157   -2.1494    1.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0193   -0.9395    0.6948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050    0.1882   -0.0841 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0317    0.0728   -1.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490   -1.4154   -2.2974 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215    0.1202   -0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -1.0211   -0.6034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6246    1.0526    0.3820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0261    1.1966    0.4860 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6418    1.6357   -0.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4434    1.7924   -0.5756 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7505    0.0040    0.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0207    0.0100    1.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136   -1.1509    1.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2162   -0.0420    2.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364    1.5433    2.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8796    0.8853    0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0331   -0.9600   -0.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036   -1.5149    0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7868    0.7411    1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019    1.2838   -0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7163   -1.2536    0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263   -2.8719    1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0938    1.1629    0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    0.0661   -1.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440    0.9994   -2.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7328   -2.4764   -1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -0.9510   -1.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2509    2.0334    1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1886    2.5922   -1.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4754    0.8798   -1.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7551    2.2250    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5070   -1.6970    2.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  7  1  0
  5  6  2  0
  2  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 22  1  0
 20 21  2  0
  1 23  1  0
  1 24  1  0
  2 25  1  6
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  7 30  1  0
  9 31  1  0
 11 32  1  1
 12 33  1  0
 12 34  1  0
 13 35  1  0
 15 36  1  0
 17 37  1  1
 18 38  1  0
 18 39  1  0
 19 40  1  0
 22 41  1  0
M  END


  Mrv1652309102207112D          

 22 21  0  0  1  0            999 V2000
    0.5230    1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3349    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059   -0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -0.5230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -1.3480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0493   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493   -2.5855    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -2.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059   -1.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  4  0  0  0
  8 10  2  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  4  0  0  0
 14 16  2  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0295910

> <DATABASE_NAME>
NP-MRD

> <SMILES>
N[C@@H](CCC(O)=O)C(O)=N[C@@H](CS)C(O)=N[C@@H](CS)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H19N3O6S2/c12-5(1-2-8(15)16)9(17)13-6(3-21)10(18)14-7(4-22)11(19)20/h5-7,21-22H,1-4,12H2,(H,13,17)(H,14,18)(H,15,16)(H,19,20)/t5-,6-,7-/m0/s1

> <INCHI_KEY>
MXPBQDFWIMBACQ-ACZMJKKPSA-N

> <FORMULA>
C11H19N3O6S2

> <MOLECULAR_WEIGHT>
353.41

> <EXACT_MASS>
353.071527692

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
34.23500426409631

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S)-4-amino-4-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]-C-hydroxycarbonimidoyl}-2-sulfanylethyl]-C-hydroxycarbonimidoyl}butanoic acid

> <JCHEM_LOGP>
-2.814938046625383

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.5654921066612366

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9709438465385767

> <JCHEM_PKA_STRONGEST_BASIC>
9.396997541631807

> <JCHEM_POLAR_SURFACE_AREA>
165.79999999999998

> <JCHEM_REFRACTIVITY>
82.37849999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4S)-4-amino-4-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]-C-hydroxycarbonimidoyl}-2-sulfanylethyl]-C-hydroxycarbonimidoyl}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  N   UNK     0       0.976   3.644   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.311   2.104   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.357   1.334   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -0.357  -0.206   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      -1.691   2.104   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -3.025   1.334   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.358   2.104   0.000  0.00  0.00           C+0
HETATM   13  S   UNK     0      -5.692   1.334   0.000  0.00  0.00           S+0
HETATM   14  C   UNK     0      -3.025  -0.206   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.691  -0.976   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      -4.358  -0.976   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -4.358  -2.516   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.692  -3.286   0.000  0.00  0.00           C+0
HETATM   19  S   UNK     0      -5.692  -4.826   0.000  0.00  0.00           S+0
HETATM   20  C   UNK     0      -3.025  -3.286   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -3.025  -4.826   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.691  -2.516   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    2    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END

View in JSmol

Synonyms

Value	Source
e-C-C	ChEBI
ECC	ChEBI
L-Glu-L-cys-L-cys	ChEBI

Chemical Formula

C₁₁H₁₉N₃O₆S₂

Average Mass

353.4100 Da

Monoisotopic Mass

353.07153 Da

IUPAC Name

(4S)-4-amino-4-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]-C-hydroxycarbonimidoyl}-2-sulfanylethyl]-C-hydroxycarbonimidoyl}butanoic acid

Traditional Name

(4S)-4-amino-4-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]-C-hydroxycarbonimidoyl}-2-sulfanylethyl]-C-hydroxycarbonimidoyl}butanoic acid

CAS Registry Number

Not Available

SMILES

N[C@@H](CCC(O)=O)C(O)=N[C@@H](CS)C(O)=N[C@@H](CS)C(O)=O

InChI Identifier

InChI=1S/C11H19N3O6S2/c12-5(1-2-8(15)16)9(17)13-6(3-21)10(18)14-7(4-22)11(19)20/h5-7,21-22H,1-4,12H2,(H,13,17)(H,14,18)(H,15,16)(H,19,20)/t5-,6-,7-/m0/s1

InChI Key

MXPBQDFWIMBACQ-ACZMJKKPSA-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
Trypanosoma brucei	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
Glutamic acid or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Cysteine or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amino fatty acid
Fatty amide
N-acyl-amine
Dicarboxylic acid or derivatives
Fatty acid
Fatty acyl
Carboxamide group
Amino acid or derivatives
Secondary carboxylic acid amide
Amino acid
Carboxylic acid
Alkylthiol
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Carbonyl group
Primary amine
Hydrocarbon derivative
Amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

tripeptide (CHEBI:73495 )

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	-2.8	ChemAxon
pKa (Strongest Acidic)	2.97	ChemAxon
pKa (Strongest Basic)	9.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	165.8 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	82.38 m³·mol⁻¹	ChemAxon
Polarizability	34.24 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

8412498

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10237010

PDB ID

Not Available

ChEBI ID

73495

Good Scents ID

Not Available

References

General References

Scheck RA, Schepartz A: Surveying protein structure and function using bis-arsenical small molecules. Acc Chem Res. 2011 Sep 20;44(9):654-65. doi: 10.1021/ar2001028. Epub 2011 Jul 18. [PubMed:21766813 ]
LOTUS database [Link]

Showing NP-Card for (4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid (NP0295910)

MOL for NP0295910 ((4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D MOL for NP0295910 ((4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D SDF for NP0295910 ((4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D-SDF for NP0295910 ((4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid)

PDB for NP0295910 ((4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D PDB for NP0295910 ((4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid)

SMILES for NP0295910 ((4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid)

INCHI for NP0295910 ((4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid)

Structure for NP0295910 ((4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D Structure for NP0295910 ((4s)-4-amino-4-{[(1r)-1-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid)