NP-MRD: Showing NP-Card for (2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid (NP0153205)

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Record Information

Version

2.0

Created at

2022-09-02 09:49:21 UTC

Updated at

2022-09-02 09:49:22 UTC

NP-MRD ID

NP0153205

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid

Description

(2S)-2-{[(1S)-3-{[(2R)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. (2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid is found in Astragalus pectinatus. Based on a literature review very few articles have been published on (2S)-2-{[(1S)-3-{[(2R)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 43  0  0  0  0  0  0  0  0999 V2000
   -5.5327    2.9766   -0.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0715    2.2899    0.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9149    1.0322    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7467    0.2701    0.8878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8269    0.3597   -0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7128   -0.1326    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5758   -0.7833   -0.6597 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6025   -1.2767    0.2043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501   -1.4083    0.1201 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7864   -0.4114   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9849    0.7181    0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6319    1.6786    0.2231 Se  0  0  0  0  0  2  0  0  0  0  0  0
    3.8793    0.1953   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334    0.6603   -0.4653 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1182   -0.4507   -0.7143 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8393    1.5885    0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1705    2.2617    1.3367 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1995    1.7831    0.5164 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1903   -2.4681    1.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426   -3.6174    0.8097 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803   -2.0423    2.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0486    0.0124   -1.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1426   -0.2642   -2.5461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386    1.2965   -1.9525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7515    0.3503    1.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3945   -0.5694   -1.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6084    0.9526   -1.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1228   -0.9626    0.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3202    0.6025    0.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1047   -1.7025   -1.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9737   -1.3540    1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044   -2.0734   -0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7842   -1.0145    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006   -0.0641   -1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1965    1.4555    0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0903    0.4921    1.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4628   -0.3671   -0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8002   -0.4797    0.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1814    1.2611   -1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -1.3713   -0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8656   -0.5378    0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9428    1.1456    0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831   -2.0435    2.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.0123   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  1  0
  3  2  2  0
  7 22  1  0
 22 24  1  0
 22 23  2  0
  9 19  1  0
 19 21  1  0
 19 20  2  0
 14 16  1  0
 16 18  1  0
 16 17  2  0
 15 40  1  0
 15 41  1  0
 14 39  1  6
 13 37  1  0
 13 38  1  0
 11 35  1  0
 11 36  1  0
 10 33  1  0
 10 34  1  0
  9 32  1  6
  8 31  1  0
  7 30  1  6
  6 28  1  0
  6 29  1  0
  5 26  1  0
  5 27  1  0
  4 25  1  0
  2  1  1  0
 24 44  1  0
 21 43  1  0
 18 42  1  0
M  END


  Mrv1652309022211492D          

 23 22  0  0  1  0            999 V2000
    5.1805    2.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9376    2.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0322    1.5466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3571    2.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0195    3.0218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7766    2.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4390    3.1857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1961    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8585    3.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6156    3.0218    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   12.3727    2.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0351    3.1857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9405    4.0053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7922    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4546    3.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    2.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3444    4.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0068    4.4970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873    4.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9249    3.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1718    4.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1678    4.1692    0.0000 O   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0153205

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H21N3O7Se/c13-6(10(17)18)5-23-4-3-8(12(21)22)15-7(11(19)20)1-2-9(14)16/h6-8,15H,1-5,13H2,(H2,14,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-/m0/s1

> <INCHI_KEY>
OWBNAAUBKARVQC-FXQIFTODSA-N

> <FORMULA>
C12H21N3O7Se

> <MOLECULAR_WEIGHT>
398.285

> <EXACT_MASS>
399.054472

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
32.701726063785415

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[(1S)-3-{[(2R)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid

> <ALOGPS_LOGP>
-2.83

> <JCHEM_LOGP>
-10.560129330455784

> <ALOGPS_LOGS>
-2.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
1.1716403931235515

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.2327289324057462

> <JCHEM_PKA_STRONGEST_BASIC>
12.248591567715607

> <JCHEM_POLAR_SURFACE_AREA>
194.02999999999997

> <JCHEM_REFRACTIVITY>
95.79259999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.16e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(1S)-3-{[(2R)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  N   UNK     0       9.670   5.029   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      11.083   4.417   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      11.260   2.887   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      12.320   5.335   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.733   4.723   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.970   5.641   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      16.383   5.029   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      17.620   5.947   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      19.033   5.335   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      20.269   6.253   0.000  0.00  0.00           C+0
HETATM   11 Se   UNK     0      21.682   5.641   0.000  0.00  0.00          Se+0
HETATM   12  C   UNK     0      23.096   5.029   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      24.332   5.947   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      24.156   7.476   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      25.745   5.335   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      26.982   6.253   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      25.922   3.805   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      17.443   7.476   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      18.679   8.394   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      16.030   8.088   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      14.793   7.171   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      15.254   8.640   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      13.380   7.782   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   21                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   18                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18    8   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    6   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Value	Source
(2S)-2-{[(1S)-3-{[(2R)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(C-hydroxycarbonimidoyl)butanoate	Generator

Chemical Formula

C₁₂H₂₁N₃O₇Se

Average Mass

398.2850 Da

Monoisotopic Mass

399.05447 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

N[C@@H](C[Se]CC[C@H](N[C@@H](CCC(O)=N)C(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C12H21N3O7Se/c13-6(10(17)18)5-23-4-3-8(12(21)22)15-7(11(19)20)1-2-9(14)16/h6-8,15H,1-5,13H2,(H2,14,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-/m0/s1

InChI Key

OWBNAAUBKARVQC-FXQIFTODSA-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
Astragalus pectinatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Tricarboxylic acid or derivatives
Amino acid
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Secondary aliphatic amine
Secondary amine
Selenoether
Amine
Hydrocarbon derivative
Primary amine
Organoselenium compound
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	-2.8	ALOGPS
logS	-2.1	ALOGPS

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

163041410

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-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid (NP0153205)

MOL for NP0153205 ((2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

3D MOL for NP0153205 ((2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

3D SDF for NP0153205 ((2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

3D-SDF for NP0153205 ((2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

PDB for NP0153205 ((2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

3D PDB for NP0153205 ((2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

SMILES for NP0153205 ((2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

INCHI for NP0153205 ((2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

Structure for NP0153205 ((2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

3D Structure for NP0153205 ((2s)-2-{[(1s)-3-{[(2r)-2-amino-2-carboxyethyl]selanyl}-1-carboxypropyl]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)