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D-Jnki-1 , c-Jun N-terminal kinase 3 inhibitor, CAS No.1198367-70-2, c-Jun N-terminal kinase 3 inhibitor
Basic Description
Synonyms
D-JNKI-1 | D-JNKI 1 | AM111 peptide | Glycine, D-alpha-aspartyl-D-glutaminyl-D-seryl-D-arginyl-D-prolyl-D-valyl-D-glutaminyl-D-prolyl-D-phenylalanyl-D-leucyl-D-asparaginyl-D-leucyl-D-threonyl-D-threonyl-D-prolyl-D-arginyl-D-lysyl-D-prolyl-D-arginyl-D-prol
Action Type
INHIBITOR
Mechanism of action
c-Jun N-terminal kinase 3 inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic Polymers
Class
Polypeptides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Polypeptides
Alternative Parents
Peptides Arginine and derivatives Phenylalanine and derivatives Glutamine and derivatives Aspartic acid and derivatives Asparagine and derivatives Leucine and derivatives Valine and derivatives N-acyl-alpha amino acids Proline and derivatives Serine and derivatives Alpha amino acid amides Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Dicarboxylic acids and derivatives N-acyl amines Tertiary carboxylic acid amides Amino acids Secondary alcohols Secondary carboxylic acid amides Guanidines Primary carboxylic acid amides Carboxylic acids Azacyclic compounds Carboximidamides Primary alcohols Hydrocarbon derivatives Imines Organic oxides Carbonyl compounds Monoalkylamines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polypeptide - Alpha peptide - Phenylalanine or derivatives - Arginine or derivatives - Glutamine or derivatives - Leucine or derivatives - Aspartic acid or derivatives - Asparagine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Amphetamine or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-acyl-amine - Benzenoid - Fatty amide - Fatty acyl - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Primary alcohol - Organic oxide - Imine - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(3R)-3-amino-4-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[(2R)-2-[[(2R)-1-[[(2R)-5-amino-1-[(2R)-2-[[(2R)-1-[[(2R)-1-[[(2R)-4-amino-1-[[(2R)-1-[[(2R,3S)-1-[[(2R,3S)-1-[(2R)-2-[[(2R)-1-[[(2R)-6-amino-1-[(2R)-2-[[(2R)-1-[(2R)-2-[(2R)-2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[
INCHI
InChI=1S/C164H285N65O41/c1-84(2)77-106(216-139(254)108(79-89-33-10-9-11-34-89)219-146(261)112-48-28-72-225(112)153(268)105(55-58-119(171)235)215-148(263)123(86(5)6)221-147(262)115-51-29-73-226(115)151(266)103(45-25-69-198-163(187)188)213-142(257)110(83-23
InChIKey
HRMVIAFZYCCHGF-BMCUWHFPSA-N
Smiles
CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(
Isomeric SMILES
C[C@@H]([C@H](C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)N3CCC[C@@H]3C(=O)N4CCC[C@@H]4C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@H]6CCCN6C(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](CC(=O)O)N)O
PubChem CID
72941992
Molecular Weight
3823.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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