H-Val-D-gGlu-D-Arg-Gly-OH

Details

• Internal ID: 77e47061-ac95-43c4-97d9-7c56193d2253
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
• IUPAC Name: (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-[[(2R)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
• SMILES (Canonical): CC(C)C(C(=O)NC(CCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)C(=O)O)N
• SMILES (Isomeric): CC(C)[C@@H](C(=O)N[C@H](CCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(=O)O)N
• InChI: InChI=1S/C18H33N7O7/c1-9(2)14(19)16(30)25-11(17(31)32)5-6-12(26)24-10(4-3-7-22-18(20)21)15(29)23-8-13(27)28/h9-11,14H,3-8,19H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)(H,27,28)(H,31,32)(H4,20,21,22)/t10-,11-,14+/m1/s1
• InChI Key: LTKLLKUVWGIOLS-GYSYKLTISA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₃N₇O₇
• Molecular Weight: 459.50 g/mol
• Exact Mass: 459.24414642 g/mol
• Topological Polar Surface Area (TPSA): 252.00 Ų
• XlogP: -4.90

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	99.90%	83.82%
CHEMBL2581	P07339	Cathepsin D	99.08%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	97.04%	99.17%
CHEMBL236	P41143	Delta opioid receptor	96.40%	99.35%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.49%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.09%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	94.89%	90.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	92.33%	100.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.80%	96.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	91.73%	93.56%
CHEMBL1255126	O15151	Protein Mdm4	91.56%	90.20%
CHEMBL4608	P33032	Melanocortin receptor 5	91.31%	97.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	91.17%	90.71%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	90.85%	96.47%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.30%	94.45%
CHEMBL4777	P25929	Neuropeptide Y receptor type 1	90.15%	96.67%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	89.40%	97.23%
CHEMBL4816	Q9Y243	Serine/threonine-protein kinase AKT3	88.99%	96.28%
CHEMBL2514	O95665	Neurotensin receptor 2	88.82%	100.00%
CHEMBL3776	Q14790	Caspase-8	86.67%	97.06%
CHEMBL2413	P32246	C-C chemokine receptor type 1	86.43%	89.50%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	85.82%	97.88%
CHEMBL3784	Q09472	Histone acetyltransferase p300	85.13%	93.33%
CHEMBL2094135	Q96BI3	Gamma-secretase	84.75%	98.05%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	84.71%	98.33%
CHEMBL3308	P55212	Caspase-6	84.27%	97.56%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	84.18%	93.00%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	83.87%	96.67%
CHEMBL4644	P41968	Melanocortin receptor 3	83.74%	99.52%
CHEMBL2885	P07451	Carbonic anhydrase III	81.95%	87.45%
CHEMBL259	P32245	Melanocortin receptor 4	80.39%	95.38%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	80.25%	96.00%
CHEMBL5261	Q7L7X3	Serine/threonine-protein kinase TAO1	80.24%	89.33%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.05%	95.89%
CHEMBL4581	P52732	Kinesin-like protein 1	80.03%	93.18%

Plants that contains it

• Panax ginseng

Cross-Links

• PubChem: 15838983
• LOTUS: LTS0074561
• wikiData: Q105156985