NP-MRD: Showing NP-Card for (2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid (NP0154615)

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Record Information

Version

2.0

Created at

2022-09-02 11:33:42 UTC

Updated at

2022-09-02 11:33:42 UTC

NP-MRD ID

NP0154615

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

Description

Leu-Tyr, also known as leucyltyrosine or L-leu-L-tyr, belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Leu-Tyr 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. (2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid is found in Trypanosoma brucei. (2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid was first documented in 2022 (PMID: 35724928). Based on a literature review a small amount of articles have been published on Leu-Tyr (PMID: 35938100) (PMID: 35618488) (PMID: 35602437) (PMID: 35292250).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 43  0  0  0  0  0  0  0  0999 V2000
   -4.9580   -0.7065    0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1053    0.4297    0.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2756   -0.0007    1.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4603    1.2022   -0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446    0.5886   -1.2708 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0558   -0.4772   -2.0830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040    0.1492   -0.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0629   -0.9815   -0.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363    0.8876   -1.0416 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342    0.8542   -0.7726 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4916   -0.1839    0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9619   -0.1994    0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911    0.6397    1.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534    0.5891    1.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6550   -0.3009    1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0134   -0.3372    1.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1099   -1.1429    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7392   -1.0883   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    0.6462   -2.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    0.7417   -2.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206    0.3556   -3.1982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2530   -0.5755   -0.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4233   -1.6871    0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8861   -0.8092    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8926    1.1601    1.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001    0.5247    1.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -1.1198    1.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    0.1952    2.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670    2.1130    0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3125    1.6793   -0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2899    1.4015   -2.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1453   -1.3716   -1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8511   -0.2247   -2.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9294   -1.1459    0.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5137    1.8396   -0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0115    0.1023    1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113   -1.2078   -0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8998    1.3532    2.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2743    1.2584    2.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3861   -0.9587    2.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7624   -1.8335   -0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -1.7658   -0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420   -0.5933   -3.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 10 19  1  0
 19 21  1  0
 19 20  2  0
 18 12  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  6
  6 32  1  0
  6 33  1  0
  8 34  1  0
 10 35  1  1
 11 36  1  0
 11 37  1  0
 13 38  1  0
 14 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 21 43  1  0
M  END


  Mrv1652309022213332D          

 21 21  0  0  1  0            999 V2000
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  4  0  0  0
  7  9  2  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 12 18  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0154615

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C[C@H](N)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H22N2O4/c1-9(2)7-12(16)14(19)17-13(15(20)21)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)/t12-,13-/m0/s1

> <INCHI_KEY>
LHSGPCFBGJHPCY-STQMWFEESA-N

> <FORMULA>
C15H22N2O4

> <MOLECULAR_WEIGHT>
294.351

> <EXACT_MASS>
294.157957196

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.159864983020327

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

> <ALOGPS_LOGP>
-1.05

> <JCHEM_LOGP>
-0.18756997634777006

> <ALOGPS_LOGS>
-3.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.261122898422877

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3867121894651153

> <JCHEM_PKA_STRONGEST_BASIC>
9.859250536998726

> <JCHEM_POLAR_SURFACE_AREA>
116.14

> <JCHEM_REFRACTIVITY>
78.5899

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.90e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic 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       4.001  11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       0.000   9.240   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       0.000   6.160   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -2.667   4.620   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    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   12                                                       
CONECT   19   10   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END

View in JSmol

Synonyms

Value	Source
L-Leu-L-tyr	ChEBI
L-Y	ChEBI
Leucyltyrosine	ChEBI
LY	ChEBI
Leucyltyrosine, (L-tyr,D-leu)-isomer	MeSH
Leucyltyrosine, (D-tyr,D-leu)-isomer	MeSH
Leucyltyrosine, (D-tyr,L-leu)-isomer	MeSH

Chemical Formula

C₁₅H₂₂N₂O₄

Average Mass

294.3510 Da

Monoisotopic Mass

294.15796 Da

IUPAC Name

(2S)-2-{[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

Traditional Name

(2S)-2-{[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

CAS Registry Number

Not Available

SMILES

CC(C)C[C@H](N)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=O

InChI Identifier

InChI=1S/C15H22N2O4/c1-9(2)7-12(16)14(19)17-13(15(20)21)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)/t12-,13-/m0/s1

InChI Key

LHSGPCFBGJHPCY-STQMWFEESA-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 peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Peptides

Alternative Parents

Substituents

Alpha peptide
Tyrosine or derivatives
Phenylalanine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
3-phenylpropanoic-acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Amino acid or derivatives
Amino acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Primary amine
Organic oxide
Primary aliphatic amine
Amine
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

dipeptide (CHEBI:73591 )

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	ALOGPS
logP	-0.19	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	3.39	ChemAxon
pKa (Strongest Basic)	9.86	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	116.14 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	78.59 m³·mol⁻¹	ChemAxon
Polarizability	31.16 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

C00038888

Chemspider ID

63589

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

70410

PDB ID

Not Available

ChEBI ID

73591

Good Scents ID

Not Available

References

General References

Yaeger JDW, Krupp KT, Summers TR, Summers CH: Contextual generalization of social stress learning is modulated by orexin receptors in basolateral amygdala. Neuropharmacology. 2022 Sep 1;215:109168. doi: 10.1016/j.neuropharm.2022.109168. Epub 2022 Jun 17. [PubMed:35724928 ]
Suo SK, Zheng SL, Chi CF, Luo HY, Wang B: Novel angiotensin-converting enzyme inhibitory peptides from tuna byproducts-milts: Preparation, characterization, molecular docking study, and antioxidant function on H(2)O(2)-damaged human umbilical vein endothelial cells. Front Nutr. 2022 Jul 22;9:957778. doi: 10.3389/fnut.2022.957778. eCollection 2022. [PubMed:35938100 ]
Hua Y, Yin H, Liu X, Xie J, Zhan W, Liang G, Shen Y: Salt-Inducible Kinase 2-Triggered Release of Its Inhibitor from Hydrogel to Suppress Ovarian Cancer Metastasis. Adv Sci (Weinh). 2022 Aug;9(22):e2202260. doi: 10.1002/advs.202202260. Epub 2022 May 26. [PubMed:35618488 ]
Dong Y, Sun L, Ma C, Zhang S, Zhong L, Lin S: Characterization of a synergistic antioxidant synthetic peptide from sea cucumber and pine nut. J Food Sci Technol. 2022 Jun;59(6):2306-2317. doi: 10.1007/s13197-021-05245-8. Epub 2021 Aug 26. [PubMed:35602437 ]
Zheng Z, Li M, Jiang P, Sun N, Lin S: Peptides derived from sea cucumber accelerate cells proliferation and migration for wound healing by promoting energy metabolism and upregulating the ERK/AKT pathway. Eur J Pharmacol. 2022 Apr 15;921:174885. doi: 10.1016/j.ejphar.2022.174885. Epub 2022 Mar 12. [PubMed:35292250 ]
LOTUS database [Link]

Showing NP-Card for (2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid (NP0154615)

MOL for NP0154615 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid)

3D MOL for NP0154615 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid)

3D SDF for NP0154615 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid)

3D-SDF for NP0154615 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid)

PDB for NP0154615 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid)

3D PDB for NP0154615 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid)

SMILES for NP0154615 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid)

INCHI for NP0154615 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid)

Structure for NP0154615 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid)

3D Structure for NP0154615 ((2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid)