Phenylalanylleucine

Details

• Internal ID: 78c7eb68-2a52-431a-a8cb-d7ae43bbb0d7
• 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]-4-methylpentanoic acid
• SMILES (Canonical): CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N
• SMILES (Isomeric): CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
• InChI: InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1
• InChI Key: RFCVXVPWSPOMFJ-STQMWFEESA-N
• Popularity: 37 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂N₂O₃
• Molecular Weight: 278.35 g/mol
• Exact Mass: 278.16304257 g/mol
• Topological Polar Surface Area (TPSA): 92.40 Ų
• XlogP: -1.20

Synonyms

• 3303-55-7
• L-Phenylalanyl-L-leucine
• Phenylalanylleucine
• Phe-leu
• L-Leucine, L-phenylalanyl-
• phenylalanyl-leucine
• L-Phe-L-Leu
• CHEMBL37879
• (2S)-2-[(2S)-2-AMINO-3-PHENYLPROPANAMIDO]-4-METHYLPENTANOIC ACID
• L-Phe-L-Leu-OH
• (2S)-2-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]-4-methylpentanoate
• L-Leucine, N-L-phenylalanyl-
• SCHEMBL1396480
• CHEBI:91150
• DTXSID60954651
• RFCVXVPWSPOMFJ-STQMWFEESA-N
• BDBM50027516
• MFCD00038297
• AKOS010420654
• HY-W068839
• AS-58913
• CS-0077187
• N-(2-Amino-1-hydroxy-3-phenylpropylidene)leucine
• J-018985
• Q27163086
• 2-(2-Amino-3-phenyl-propionylamino)-4-methyl-pentanoic acid
• (S)-2-((S)-2-amino-3-phenylpropanamido)-4-methylpentanoic acid

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	99.53%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	99.16%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.23%	96.09%
CHEMBL3837	P07711	Cathepsin L	94.82%	96.61%
CHEMBL3359	P21462	Formyl peptide receptor 1	94.67%	93.56%
CHEMBL1255126	O15151	Protein Mdm4	93.38%	90.20%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.13%	95.56%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	88.73%	92.29%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	88.28%	95.50%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.08%	99.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	87.85%	100.00%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	86.81%	98.33%
CHEMBL2095164	P49354	Geranylgeranyl transferase type I	86.14%	92.80%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.05%	97.21%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.53%	91.11%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.61%	90.24%
CHEMBL2514	O95665	Neurotensin receptor 2	80.84%	100.00%
CHEMBL5028	O14672	ADAM10	80.72%	97.50%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	80.55%	83.10%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 76808
• NPASS: NPC327481
• ChEMBL: CHEMBL37879
• LOTUS: LTS0039950
• wikiData: Q27163086