Phe-Val

Details

• Internal ID: a1dd429e-9198-494c-96c5-abd4a69926c0
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
• IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoic acid
• SMILES (Canonical): CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N
• SMILES (Isomeric): CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
• InChI: InChI=1S/C14H20N2O3/c1-9(2)12(14(18)19)16-13(17)11(15)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
• InChI Key: IEHDJWSAXBGJIP-RYUDHWBXSA-N
• Popularity: 38 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₀N₂O₃
• Molecular Weight: 264.32 g/mol
• Exact Mass: 264.14739250 g/mol
• Topological Polar Surface Area (TPSA): 92.40 Ų
• XlogP: -1.70

Synonyms

• 3918-90-9
• H-Phe-Val-OH
• phenylalanylvaline
• L-phenylalanyl-L-valine
• Phenylalanyl-valine
• (S)-2-((S)-2-Amino-3-phenylpropanamido)-3-methylbutanoic acid
• CHEBI:73638
• FV dipeptide
• F-V Dipeptide
• L-Phe-L-Val
• Phe-L-Val, L-
• Phenylalanine Valine dipeptide
• Phenylalanine-Valine dipeptide
• SCHEMBL4434435
• CHEMBL1221999
• IEHDJWSAXBGJIP-RYUDHWBXSA-N
• DTXSID201344956
• FV
• MFCD00026454
• (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoic acid
• AKOS010421469
• CS-W009449
• HY-W008733
• Q27143136
• (S)-2-((S)-2-Amino-3-phenylpropanamido)-3-methylbutanoicacid
• (2S)-2-[(2S)-2-AMINO-3-PHENYLPROPANAMIDO]-3-METHYLBUTANOIC ACID
• F-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
CHEMBL2581	P07339	Cathepsin D	99.24%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	95.78%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.92%	96.09%
CHEMBL3492	P49721	Proteasome Macropain subunit	90.50%	90.24%
CHEMBL1255126	O15151	Protein Mdm4	88.94%	90.20%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	88.56%	95.50%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.54%	95.56%
CHEMBL4072	P07858	Cathepsin B	87.75%	93.67%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	86.75%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	86.08%	93.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.84%	99.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.24%	97.21%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.20%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.13%	94.45%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	83.31%	92.29%
CHEMBL3308	P55212	Caspase-6	81.80%	97.56%
CHEMBL3401	O75469	Pregnane X receptor	81.31%	94.73%
CHEMBL2535	P11166	Glucose transporter	80.30%	98.75%
CHEMBL5028	O14672	ADAM10	80.19%	97.50%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 7359122
• LOTUS: LTS0224937
• wikiData: Q27143136