L-Valyl-L-valine

Details

• Internal ID: 4eafe95b-fc51-4773-b45d-03f63e622140
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
• IUPAC Name: (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
• InChI: InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
• InChI Key: KRNYOVHEKOBTEF-YUMQZZPRSA-N
• Popularity: 76 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₂₀N₂O₃
• Molecular Weight: 216.28 g/mol
• Exact Mass: 216.14739250 g/mol
• Topological Polar Surface Area (TPSA): 92.40 Ų
• XlogP: -2.80

Synonyms

• Val-val
• L-Valyl-L-valine
• 3918-94-3
• Valylvaline
• CHEMBL54552
• CHEBI:73704
• Valyl-Valine
• L-Valine, L-valyl-
• L-Valine, N-L-valyl-
• VV dipeptide
• (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
• V-V Dipeptide
• L-Val-L-Val
• Valine Valine dipeptide
• Valine-Valine dipeptide
• H-L-Val-L-Val-OH
• 2-(2-Amino-3-methyl-butyrylamino)-3-methyl-butyric acid
• SCHEMBL4582286
• DTXSID40959967
• KRNYOVHEKOBTEF-YUMQZZPRSA-N
• (2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanoic acid
• BDBM50188521
• MFCD00026463
• AKOS010421666
• (2S)-2-[[(2S)-2-AMINO-3-METHYL-BUTANOYL]AMINO]-3-METHYL-BUTANOIC ACID,
• BS-49070
• HY-126584
• CS-0105776
• E78498
• EN300-705724
• N-(2-Amino-1-hydroxy-3-methylbutylidene)valine
• Q27143934
• (S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-methyl-butyric acid
• (2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-3-methylbutanoate
• V-V

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	99.38%	83.82%
CHEMBL2581	P07339	Cathepsin D	92.38%	98.95%
CHEMBL4072	P07858	Cathepsin B	89.93%	93.67%
CHEMBL3359	P21462	Formyl peptide receptor 1	89.68%	93.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.12%	96.09%
CHEMBL3308	P55212	Caspase-6	87.61%	97.56%
CHEMBL3776	Q14790	Caspase-8	86.75%	97.06%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	85.23%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.12%	94.45%
CHEMBL2413	P32246	C-C chemokine receptor type 1	82.75%	89.50%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	81.68%	96.47%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.47%	99.17%
CHEMBL221	P23219	Cyclooxygenase-1	80.43%	90.17%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	80.36%	92.29%
CHEMBL2514	O95665	Neurotensin receptor 2	80.25%	100.00%
CHEMBL3836	P53667	LIM domain kinase 1	80.19%	90.05%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 107475
• LOTUS: LTS0069084
• wikiData: Q27143934