NP-MRD: Showing NP-Card for (2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid (NP0155137)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-02 12:08:41 UTC

Updated at

2022-09-02 12:08:41 UTC

NP-MRD ID

NP0155137

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid

Description

Gamma-glutamyl-S-allylmercaptocysteine belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. (2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid is found in Allium sativum. (2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid was first documented in 2020 (PMID: 32010342). Based on a literature review very few articles have been published on gamma-glutamyl-S-allylmercaptocysteine.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 37  0  0  0  0  0  0  0  0999 V2000
    4.8757    2.1833    0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7526    1.5650   -0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7476    0.0735   -0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003   -0.7808    0.7474 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5287   -2.3918    0.7861 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627   -1.8414    1.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1775   -0.9613    0.4021 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0180   -0.5521    0.9989 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830    0.0070    0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9935    0.1730    1.8210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042    0.5217   -0.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7803   -0.0520   -1.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9417    0.2291   -0.1508 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1138   -0.4019   -0.7969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2172    1.6392    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3805    2.0859   -0.2680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3706    2.6061    0.5644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9185   -1.8296   -0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9109   -2.1133   -1.5115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103   -2.3194   -1.1525 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9867    1.6020    1.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    3.2847    0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6419    2.1457   -1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8806   -0.2160   -1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6624   -0.1533   -1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0095   -1.2961    2.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216   -2.7315    1.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8398   -0.1127    0.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598   -0.1057    2.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7318    0.3423   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480    1.6494   -0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0061    0.3029   -2.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7037   -1.1599   -1.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8298   -0.3546    0.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1284   -1.3954   -0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9720    0.1314   -0.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0993    3.4024   -0.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5017   -3.1756   -1.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11  9  1  0
  9 10  1  0
  9  8  2  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
  7 18  1  0
 18 20  1  0
 18 19  2  0
 13 15  1  0
 15 17  1  0
 15 16  2  0
 14 35  1  0
 14 36  1  0
 13 34  1  1
 12 32  1  0
 12 33  1  0
 11 30  1  0
 11 31  1  0
 10 29  1  0
  7 28  1  6
  6 26  1  0
  6 27  1  0
  3 24  1  0
  3 25  1  0
  2 23  1  0
  1 21  1  0
  1 22  1  0
 20 38  1  0
 17 37  1  0
M  END


  Mrv1652309022214082D          

 20 19  0  0  1  0            999 V2000
    0.6974    2.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    3.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877    4.0401    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979    3.8842    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481    4.3519    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2882    4.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983    4.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683    4.0401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6384    5.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485    5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9886    5.9110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7186    6.6906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987    5.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3388    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0688    4.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283    3.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    2.9487    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
  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
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  4  0  0  0
  9 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
  7 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0155137

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C11H18N2O5S2/c1-2-5-19-20-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1

> <INCHI_KEY>
VTEHWEWRSAXLHY-YUMQZZPRSA-N

> <FORMULA>
C11H18N2O5S2

> <MOLECULAR_WEIGHT>
322.39

> <EXACT_MASS>
322.065714036

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
31.628226715247028

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.88

> <JCHEM_LOGP>
-1.7142745198499278

> <ALOGPS_LOGS>
-3.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.8430418463976754

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7274132629881702

> <JCHEM_PKA_STRONGEST_BASIC>
9.536142918452848

> <JCHEM_POLAR_SURFACE_AREA>
133.21

> <JCHEM_REFRACTIVITY>
78.75389999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.89e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-amino-4-{[(1R)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-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  C   UNK     0       1.302   5.504   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.310   6.668   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.822   6.377   0.000  0.00  0.00           C+0
HETATM    4  S   UNK     0       4.830   7.541   0.000  0.00  0.00           S+0
HETATM    5  S   UNK     0       6.343   7.250   0.000  0.00  0.00           S+0
HETATM    6  C   UNK     0       7.351   8.415   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.863   8.124   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       9.871   9.288   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      11.383   8.997   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      11.888   7.541   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      12.392  10.161   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.904   9.870   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.912  11.034   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      14.408  12.489   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      16.424  10.743   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      17.432  11.907   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      16.928   9.288   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       9.367   6.668   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.879   6.377   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.359   5.504   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   18                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   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    7   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

View in JSmol

Synonyms

Value	Source
g-Glutamyl-S-allylmercaptocysteine	Generator
Γ-glutamyl-S-allylmercaptocysteine	Generator

Chemical Formula

C₁₁H₁₈N₂O₅S₂

Average Mass

322.3900 Da

Monoisotopic Mass

322.06571 Da

IUPAC Name

(2S)-2-amino-4-{[(1R)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid

Traditional Name

(2S)-2-amino-4-{[(1R)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C11H18N2O5S2/c1-2-5-19-20-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1

InChI Key

VTEHWEWRSAXLHY-YUMQZZPRSA-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
Allium sativum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Gamma-glutamyl alpha-amino acid
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Cysteine or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Amino acid or derivatives
Carboxamide group
Allyl sulfur compound
Amino acid
Dialkyldisulfide
Organic disulfide
Secondary carboxylic acid amide
Carboxylic acid
Sulfenyl compound
Hydrocarbon derivative
Amine
Primary aliphatic amine
Organic oxygen compound
Organic oxide
Organopnictogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Primary amine
Organic nitrogen compound
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	-1.9	ALOGPS
logP	-1.7	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	9.54	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	133.21 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	78.75 m³·mol⁻¹	ChemAxon
Polarizability	31.63 Å³	ChemAxon
Number of Rings	0	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

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

101630431

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kodera Y, Kurita M, Nakamoto M, Matsutomo T: Chemistry of aged garlic: Diversity of constituents in aged garlic extract and their production mechanisms via the combination of chemical and enzymatic reactions. Exp Ther Med. 2020 Feb;19(2):1574-1584. doi: 10.3892/etm.2019.8393. Epub 2019 Dec 27. [PubMed:32010342 ]
LOTUS database [Link]

Showing NP-Card for (2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid (NP0155137)

MOL for NP0155137 ((2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D MOL for NP0155137 ((2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D SDF for NP0155137 ((2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D-SDF for NP0155137 ((2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

PDB for NP0155137 ((2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D PDB for NP0155137 ((2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

SMILES for NP0155137 ((2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

INCHI for NP0155137 ((2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

Structure for NP0155137 ((2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D Structure for NP0155137 ((2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)