Cuidadopeptide

Details

• Internal ID: 0f7bedf3-3039-4d65-869f-816012ead5cb
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
• IUPAC Name: (4R)-5-[[(2R)-6-amino-1-[[(2R,3R)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxo-4-(tetradecanoylamino)pentanoic acid
• InChI: InChI=1S/C64H103N11O14/c1-5-6-7-8-9-10-11-12-13-14-21-32-54(78)68-48(34-36-55(79)80)58(82)69-47(31-23-25-38-66)60(84)75-56(43(4)76)63(87)71-46(30-22-24-37-65)57(81)72-50(39-42(2)3)61(85)70-49(33-35-53(67)77)59(83)73-51(40-44-26-17-15-18-27-44)62(86)74-52(64(88)89)41-45-28-19-16-20-29-45/h15-20,26-29,42-43,46-52,56,76H,5-14,21-25,30-41,65-66H2,1-4H3,(H2,67,77)(H,68,78)(H,69,82)(H,70,85)(H,71,87)(H,72,81)(H,73,83)(H,74,86)(H,75,84)(H,79,80)(H,88,89)/t43-,46+,47-,48-,49-,50-,51-,52+,56-/m1/s1
• InChI Key: RPECNBDHMXXSGD-XGTHRXMFSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆₄H₁₀₃N₁₁O₁₄
• Molecular Weight: 1250.60 g/mol
• Exact Mass: 1249.76859700 g/mol
• Topological Polar Surface Area (TPSA): 423.00 Ų
• XlogP: 1.20

Synonyms

• (4R)-5-[[(2R)-6-amino-1-[[(2R,3R)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxo-4-(tetradecanoylamino)pentanoic acid
• (4R)-5-(((2R)-6-amino-1-(((2R,3R)-1-(((2S)-6-amino-1-(((2R)-1-(((2R)-5-amino-1-(((2R)-1-(((1S)-1-carboxy-2-phenylethyl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1,5-dioxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxohexan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-5-oxo-4-(tetradecanoylamino)pentanoic acid
• RefChem:128765
• (4R)-4-(((1R)-5-amino-1-(((1R,2R)-1-(((1S)-5-amino-1-(((1R)-1-(((1R)-1-(((1R)-1-(((1S)-1-carboxy-2-phenylethyl)-C-hydroxycarbonimidoyl)-2-phenylethyl)-C-hydroxycarbonimidoyl)-3-(C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl)-3-methylbutyl)-C-hydroxycarbonimidoyl)pentyl)-C-hydroxycarbonimidoyl)-2-hydroxypropyl)-C-hydroxycarbonimidoyl)pentyl)-C-hydroxycarbonimidoyl)-4-((1-hydroxytetradecylidene)amino)butanoate
• (4R)-4-{[(1R)-5-amino-1-{[(1R,2R)-1-{[(1S)-5-amino-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]-C-hydroxycarbonimidoyl}-2-phenylethyl]-C-hydroxycarbonimidoyl}-3-(C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-3-methylbutyl]-C-hydroxycarbonimidoyl}pentyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl]-C-hydroxycarbonimidoyl}pentyl]-C-hydroxycarbonimidoyl}-4-[(1-hydroxytetradecylidene)amino]butanoate
• CHEBI:226518

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	99.94%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	99.68%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	99.33%	99.17%
CHEMBL3837	P07711	Cathepsin L	99.27%	96.61%
CHEMBL1255126	O15151	Protein Mdm4	98.95%	90.20%
CHEMBL3359	P21462	Formyl peptide receptor 1	98.35%	93.56%
CHEMBL4040	P28482	MAP kinase ERK2	98.11%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.22%	96.09%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	96.14%	98.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.05%	91.11%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	95.83%	97.23%
CHEMBL230	P35354	Cyclooxygenase-2	95.79%	89.63%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	95.19%	100.00%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	95.16%	92.08%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.69%	96.00%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	92.21%	91.81%
CHEMBL2514	O95665	Neurotensin receptor 2	92.17%	100.00%
CHEMBL4018	P49146	Neuropeptide Y receptor type 2	91.85%	98.94%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	91.76%	93.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.99%	95.56%
CHEMBL4227	P25090	Lipoxin A4 receptor	89.35%	100.00%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.33%	97.29%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.50%	90.71%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	87.33%	95.17%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	86.71%	95.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	86.56%	95.50%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.67%	97.21%
CHEMBL3891	P07384	Calpain 1	85.61%	93.04%
CHEMBL3401	O75469	Pregnane X receptor	85.38%	94.73%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	85.00%	96.47%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.85%	86.33%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	84.72%	97.14%
CHEMBL2885	P07451	Carbonic anhydrase III	84.17%	87.45%
CHEMBL5939	Q9NZ08	Endoplasmic reticulum aminopeptidase 1	83.95%	100.00%
CHEMBL2973	O75116	Rho-associated protein kinase 2	83.17%	96.73%
CHEMBL1781	P11387	DNA topoisomerase I	82.47%	97.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.30%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682179
• LOTUS: LTS0135288
• wikiData: Q105242636