NP-MRD: Showing NP-Card for (2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid (NP0160676)

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Record Information

Version

2.0

Created at

2022-09-02 18:40:51 UTC

Updated at

2022-09-02 18:40:52 UTC

NP-MRD ID

NP0160676

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid

Description

Leu-Met, also known as L-leu-L-met or leucylmethionine, 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. Leu-Met is a very strong basic compound (based on its pKa). (2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid is found in Trypanosoma brucei. (2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid was first documented in 2019 (PMID: 31817441). A dipeptide formed from L-leucine and L-methionine residues (PMID: 31398865) (PMID: 31372898) (PMID: 31311944) (PMID: 31266802).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 38  0  0  0  0  0  0  0  0999 V2000
    5.6281   -0.8010   -1.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9699   -1.5164   -1.7511 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909   -1.1871   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    0.2761   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9752    0.7886    0.9958 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6331    0.3667    1.0768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1771   -0.1306    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2402   -0.2394   -1.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5802   -0.5588    0.2994 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9902   -0.4136    1.6570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5075    0.3355   -0.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9149   -0.1375   -0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9382    0.6715   -1.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842   -1.5816   -0.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708    2.2308    1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820    2.9846    1.2323 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4441    2.7607    1.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5721    0.2613   -1.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2668   -1.3789   -0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1497   -0.7464   -2.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0936   -1.7958   -0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256   -1.5674    0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8096    0.7419   -0.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3823    0.6482   -1.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5159    0.2822    1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1825    0.4388    2.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7705   -1.6013   -0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.5508    1.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5671   -1.0435    2.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3115    0.2421   -1.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4036    1.3635   -0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1827   -0.0638    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7185    1.7593   -0.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9337    0.4706   -0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0200    0.3878   -2.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4280   -1.7696   -1.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1140   -1.8047   -1.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -2.3028    0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9969    3.0793    1.7820 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  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
  5 15  1  0
 15 17  1  0
 15 16  2  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  1
  6 26  1  0
  9 27  1  6
 10 28  1  0
 10 29  1  0
 11 30  1  0
 11 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  0
 14 37  1  0
 14 38  1  0
 17 39  1  0
M  END


  Mrv1652305132019282D          

 17 16  0  0  0  0            999 V2000
    0.7155    0.0004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0001    0.4128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7155   -0.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -1.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291    0.4128    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.4128    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1440    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291    1.2376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587    0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  6  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0160676

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CSCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H22N2O3S/c1-7(2)6-8(12)10(14)13-9(11(15)16)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1

> <INCHI_KEY>
NTISAKGPIGTIJJ-IUCAKERBSA-N

> <FORMULA>
C11H22N2O3S

> <MOLECULAR_WEIGHT>
262.37

> <EXACT_MASS>
262.13511375

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
28.783845829171902

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid

> <ALOGPS_LOGP>
-0.30

> <JCHEM_LOGP>
-1.4744149950070204

> <ALOGPS_LOGS>
-2.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.895163574321746

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.976406917245678

> <JCHEM_PKA_STRONGEST_BASIC>
8.432606092793355

> <JCHEM_POLAR_SURFACE_AREA>
92.42

> <JCHEM_REFRACTIVITY>
68.557

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 13-MAY-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-MAY-20         0                                  
HETATM    1  C   UNK     0       1.336   0.001   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       0.000   0.770   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       2.667   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.336  -1.538   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   0.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.003   0.001   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.667  -2.310   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.000  -2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -2.668   0.770   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.334  -1.538   0.000  0.00  0.00           O+0
HETATM   11  S   UNK     0       5.335   0.770   0.000  0.00  0.00           S+0
HETATM   12  C   UNK     0      -4.002   0.001   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -2.668   2.310   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       6.670   0.001   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.336   0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.670   0.001   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.336   2.310   0.000  0.00  0.00           C+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6                                                       
CONECT    4    1    7    8                                                  
CONECT    5    2    9   10                                                  
CONECT    6    3   11                                                       
CONECT    7    4                                                            
CONECT    8    4                                                            
CONECT    9    5   12   13                                                  
CONECT   10    5                                                            
CONECT   11    6   14                                                       
CONECT   12    9   15                                                       
CONECT   13    9                                                            
CONECT   14   11                                                            
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END

View in JSmol

Synonyms

Value	Source
L-Leu-L-met	ChEBI
L-M	ChEBI
Leucylmethionine	ChEBI
LM	ChEBI

Chemical Formula

C₁₁H₂₂N₂O₃S

Average Mass

262.3700 Da

Monoisotopic Mass

262.13511 Da

IUPAC Name

(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid

CAS Registry Number

Not Available

SMILES

CSCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(O)=O

InChI Identifier

InChI=1S/C11H22N2O3S/c1-7(2)6-8(12)10(14)13-9(11(15)16)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1

InChI Key

NTISAKGPIGTIJJ-IUCAKERBSA-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 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
Methionine or derivatives
Leucine or derivatives
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Branched fatty acid
Thia fatty acid
Fatty acyl
Fatty acid
Fatty amide
N-acyl-amine
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid salt
Carboxylic acid
Dialkylthioether
Monocarboxylic acid or derivatives
Sulfenyl compound
Thioether
Amine
Organic zwitterion
Organic oxygen compound
Primary aliphatic amine
Organic nitrogen compound
Organic salt
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73584 )

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	-0.3	ALOGPS
logP	-1.5	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	3.98	ChemAxon
pKa (Strongest Basic)	8.43	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	92.42 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	68.56 m³·mol⁻¹	ChemAxon
Polarizability	28.78 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

5374095

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7010528

PDB ID

Not Available

ChEBI ID

73584

Good Scents ID

Not Available

References

General References

Wtorek K, Adamska-Bartlomiejczyk A, Piekielna-Ciesielska J, Ferrari F, Ruzza C, Kluczyk A, Piasecka-Zelga J, Calo' G, Janecka A: Synthesis and Pharmacological Evaluation of Hybrids Targeting Opioid and Neurokinin Receptors. Molecules. 2019 Dec 5;24(24):4460. doi: 10.3390/molecules24244460. [PubMed:31817441 ]
Ghosh A, Woolum K, Kothandaraman S, Tweedle MF, Kumar K: Stability Evaluation and Stabilization of a Gastrin-Releasing Peptide Receptor (GRPR) Targeting Imaging Pharmaceutical. Molecules. 2019 Aug 8;24(16):2878. doi: 10.3390/molecules24162878. [PubMed:31398865 ]
Javid H, Mohammadi F, Zahiri E, Hashemy SI: The emerging role of substance P/neurokinin-1 receptor signaling pathways in growth and development of tumor cells. J Physiol Biochem. 2019 Nov;75(4):415-421. doi: 10.1007/s13105-019-00697-1. Epub 2019 Aug 1. [PubMed:31372898 ]
Lee K, Yoo YK, Chae MS, Hwang KS, Lee J, Kim H, Hur D, Lee JH: Highly selective reduced graphene oxide (rGO) sensor based on a peptide aptamer receptor for detecting explosives. Sci Rep. 2019 Jul 16;9(1):10297. doi: 10.1038/s41598-019-45936-z. [PubMed:31311944 ]
Sengupta R, Coppo L, Mishra P, Holmgren A: Glutathione-glutaredoxin is an efficient electron donor system for mammalian p53R2-R1-dependent ribonucleotide reductase. J Biol Chem. 2019 Aug 23;294(34):12708-12716. doi: 10.1074/jbc.RA119.008752. Epub 2019 Jul 2. [PubMed:31266802 ]
LOTUS database [Link]

Showing NP-Card for (2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid (NP0160676)

MOL for NP0160676 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid)

3D MOL for NP0160676 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid)

3D SDF for NP0160676 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid)

3D-SDF for NP0160676 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid)

PDB for NP0160676 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid)

3D PDB for NP0160676 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid)

SMILES for NP0160676 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid)

INCHI for NP0160676 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid)

Structure for NP0160676 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid)

3D Structure for NP0160676 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-4-(methylsulfanyl)butanoic acid)