Flfplitsflskvl

Details

• Internal ID: fa06e080-eedf-4251-be5e-7167427d5fac
• Taxonomy: Organic Polymers > Polypeptides
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
• SMILES (Canonical): CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)N
• SMILES (Isomeric): CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)N
• InChI: InChI=1S/C83H129N15O18/c1-14-51(12)68(96-75(107)60(39-48(6)7)90-78(110)66-34-26-36-98(66)82(114)62(43-55-31-22-17-23-32-55)91-72(104)58(37-46(2)3)87-70(102)56(85)41-53-27-18-15-19-28-53)80(112)97-69(52(13)101)81(113)94-65(45-100)77(109)89-61(42-54-29-20-16-21-30-54)74(106)88-59(38-47(4)5)73(105)93-64(44-99)76(108)86-57(33-24-25-35-84)71(103)95-67(50(10)11)79(111)92-63(83(115)116)40-49(8)9/h15-23,27-32,46-52,56-69,99-101H,14,24-26,33-45,84-85H2,1-13H3,(H,86,108)(H,87,102)(H,88,106)(H,89,109)(H,90,110)(H,91,104)(H,92,111)(H,93,105)(H,94,113)(H,95,103)(H,96,107)(H,97,112)(H,115,116)/t51-,52+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
• InChI Key: KIWPHCXILYOBPU-UTXAJUJOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈₃H₁₂₉N₁₅O₁₈
• Molecular Weight: 1625.00 g/mol
• Exact Mass: 1623.96400233 g/mol
• Topological Polar Surface Area (TPSA): 520.00 Ų
• XlogP: 3.40

Synonyms

• FLFPLITSFLSKVL

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
CHEMBL3837	P07711	Cathepsin L	99.96%	96.61%
CHEMBL2581	P07339	Cathepsin D	99.95%	98.95%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	99.84%	98.33%
CHEMBL237	P41145	Kappa opioid receptor	99.64%	98.10%
CHEMBL2514	O95665	Neurotensin receptor 2	99.18%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.02%	96.09%
CHEMBL3359	P21462	Formyl peptide receptor 1	98.74%	93.56%
CHEMBL4123	P30989	Neurotensin receptor 1	97.79%	96.67%
CHEMBL221	P23219	Cyclooxygenase-1	97.47%	90.17%
CHEMBL4018	P49146	Neuropeptide Y receptor type 2	96.55%	98.94%
CHEMBL4227	P25090	Lipoxin A4 receptor	95.51%	100.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	94.87%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	94.35%	97.09%
CHEMBL3024	P53350	Serine/threonine-protein kinase PLK1	94.10%	97.43%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	94.09%	97.64%
CHEMBL1255126	O15151	Protein Mdm4	93.79%	90.20%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	93.53%	97.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.30%	95.56%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	92.55%	93.00%
CHEMBL4361	Q07820	Induced myeloid leukemia cell differentiation protein Mcl-1	91.85%	95.52%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	91.82%	97.21%
CHEMBL4777	P25929	Neuropeptide Y receptor type 1	91.64%	96.67%
CHEMBL2095164	P49354	Geranylgeranyl transferase type I	91.60%	92.80%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	91.52%	96.03%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	91.20%	93.10%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.07%	99.17%
CHEMBL1944495	P28065	Proteasome subunit beta type-9	91.03%	97.50%
CHEMBL4979	P13866	Sodium/glucose cotransporter 1	90.72%	98.24%
CHEMBL4801	P29466	Caspase-1	90.58%	96.85%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	90.47%	88.42%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	90.43%	97.23%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.47%	96.00%
CHEMBL3176	O43603	Galanin receptor 2	89.12%	98.89%
CHEMBL340	P08684	Cytochrome P450 3A4	89.05%	91.19%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	89.02%	96.47%
CHEMBL1873	P00750	Tissue-type plasminogen activator	88.66%	93.33%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	87.53%	95.89%
CHEMBL2327	P21452	Neurokinin 2 receptor	87.17%	98.89%
CHEMBL5028	O14672	ADAM10	86.63%	97.50%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	86.51%	93.03%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.19%	91.11%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.14%	90.71%
CHEMBL4581	P52732	Kinesin-like protein 1	85.79%	93.18%
CHEMBL4625	Q07817	Apoptosis regulator Bcl-X	84.64%	99.77%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.55%	95.89%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	82.56%	82.69%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	82.31%	82.38%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.27%	90.24%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	82.26%	95.00%
CHEMBL3004	P33527	Multidrug resistance-associated protein 1	81.85%	96.37%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.19%	100.00%
CHEMBL1808	P12821	Angiotensin-converting enzyme	80.80%	93.39%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 49777283
• LOTUS: LTS0085130
• wikiData: Q105141704