gamma-Glutamylvaline

Details

Top
Internal ID 5ecbbc29-0d6f-417e-8c97-e34879f3e42a
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
IUPAC Name (2S)-2-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid
SMILES (Canonical) CC(C)C(C(=O)O)NC(=O)CCC(C(=O)O)N
SMILES (Isomeric) CC(C)[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-7(13)4-3-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,8-/m0/s1
InChI Key AQAKHZVPOOGUCK-XPUUQOCRSA-N
Popularity 44 references in papers

Physical and Chemical Properties

Top
Molecular Formula C10H18N2O5
Molecular Weight 246.26 g/mol
Exact Mass 246.12157168 g/mol
Topological Polar Surface Area (TPSA) 130.00 Ų
XlogP -2.80

Synonyms

Top
g-Glu-Val
2746-34-1
gamma-Glu-Val
H-Glu(Val-OH)-OH
L-gamma-Glu-L-Val
H-gamma-Glu-Val-OH
L-gamma-glutamyl-L-valine
(2S)-2-Amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid
(2S)-2-amino-5-{[(1S)-1-carboxy-2-methylpropyl]amino}-5-oxopentanoic acid
gamma-Glutamyl-valine
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of gamma-Glutamylvaline

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 99.05% 83.82%
CHEMBL2581 P07339 Cathepsin D 96.00% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 94.60% 90.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.78% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.33% 99.17%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 92.11% 92.29%
CHEMBL3492 P49721 Proteasome Macropain subunit 89.15% 90.24%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.81% 100.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 86.82% 96.47%
CHEMBL2413 P32246 C-C chemokine receptor type 1 85.18% 89.50%
CHEMBL3437 Q16853 Amine oxidase, copper containing 84.56% 94.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.37% 93.56%
CHEMBL3308 P55212 Caspase-6 83.97% 97.56%
CHEMBL236 P41143 Delta opioid receptor 82.99% 99.35%
CHEMBL2514 O95665 Neurotensin receptor 2 82.62% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.58% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.10% 94.45%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.48% 94.33%
CHEMBL3776 Q14790 Caspase-8 80.41% 97.06%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Phaseolus vulgaris

Cross-Links

Top
PubChem 7015683
LOTUS LTS0158657
wikiData Q27137212