H-DL-Val-DL-Ser-DL-Glu-DL-Ala-DL-Ala-DL-Arg-DL-Phe-OH

Details

• Internal ID: e9a782b5-2baa-4892-bf82-d3b622b85810
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
• IUPAC Name: 4-[[2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxypropanoyl]amino]-5-[[1-[[1-[[1-[(1-carboxy-2-phenylethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• SMILES (Canonical): CC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)O)N
• SMILES (Isomeric): CC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)O)N
• InChI: InChI=1S/C34H54N10O11/c1-17(2)26(35)32(53)44-24(16-45)31(52)42-22(12-13-25(46)47)29(50)40-18(3)27(48)39-19(4)28(49)41-21(11-8-14-38-34(36)37)30(51)43-23(33(54)55)15-20-9-6-5-7-10-20/h5-7,9-10,17-19,21-24,26,45H,8,11-16,35H2,1-4H3,(H,39,48)(H,40,50)(H,41,49)(H,42,52)(H,43,51)(H,44,53)(H,46,47)(H,54,55)(H4,36,37,38)
• InChI Key: KZYQTXPYQPFJLX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₄H₅₄N₁₀O₁₁
• Molecular Weight: 778.90 g/mol
• Exact Mass: 778.39735258 g/mol
• Topological Polar Surface Area (TPSA): 360.00 Ų
• XlogP: -5.40

Synonyms

There are no found synonyms.

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	99.73%	83.82%
CHEMBL2581	P07339	Cathepsin D	99.63%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	98.73%	90.17%
CHEMBL1255126	O15151	Protein Mdm4	98.72%	90.20%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.87%	96.09%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	96.77%	100.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.71%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.79%	91.11%
CHEMBL3359	P21462	Formyl peptide receptor 1	94.13%	93.56%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	93.06%	98.33%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	92.98%	97.88%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	91.12%	97.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.89%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.83%	96.00%
CHEMBL2514	O95665	Neurotensin receptor 2	88.81%	100.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.15%	95.50%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	86.48%	93.00%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	85.84%	91.81%
CHEMBL259	P32245	Melanocortin receptor 4	85.53%	95.38%
CHEMBL2327	P21452	Neurokinin 2 receptor	85.44%	98.89%
CHEMBL230	P35354	Cyclooxygenase-2	84.58%	89.63%
CHEMBL3837	P07711	Cathepsin L	84.47%	96.61%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.18%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.04%	90.71%
CHEMBL5028	O14672	ADAM10	81.97%	97.50%
CHEMBL5939	Q9NZ08	Endoplasmic reticulum aminopeptidase 1	81.45%	100.00%
CHEMBL3308	P55212	Caspase-6	81.29%	97.56%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	81.25%	96.47%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.60%	100.00%

Plants that contains it

• Phytolacca americana

Cross-Links

• PubChem: 162986412
• LOTUS: LTS0152455
• wikiData: Q105148513