(2S)-1-[(2S,3R)-2-[[(2R,3R)-3-amino-2-sulfanyl-5-sulfopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2,3-dicarboxylic acid - Moligand™ , Inhibitor of Glutamyl aminopeptidase, CAS No.S609213, Inhibitor of Glutamyl aminopeptidase

CAS: S609213 Cat. No.: S609213 PubChem CID: 44365325

GRADE & PURITY Moligand™

Synonyms

H(3)N(+)CH(CH(2)CH(2)SO(3)(-))CH(SH)CO-Ile-(3-COOH)Pro | compound 40

Storage

Room temperature

Specifications

Synonyms

H(3)N(+)CH(CH(2)CH(2)SO(3)(-))CH(SH)CO-Ile-(3-COOH)Pro | compound 40

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Glutamyl aminopeptidase

Names and Identifiers

• Canonical Smiles: CC[C@H]([C@@H](C(=O)N1CCC([C@H]1C(=O)O)C(=O)O)NC(=O)[C@@H]([C@@H](CCS(=O)(=O)O)N)S)C
• IUPAC Name: (2S)-1-[(2S,3R)-2-[[(2R,3R)-3-amino-2-sulfanyl-5-sulfopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2,3-dicarboxylic acid
• InChIKey: HUWSZNZAROKDRZ-RRLWZMAJSA-N
• INCHI: 1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13-/m1/s1
• Isomeric SMILES: CC[C@@H](C)[C@@H](C(=O)N1CCC([C@H]1C(=O)O)C(=O)O)NC(=O)[C@@H]([C@@H](CCS(=O)(=O)O)N)S
• PubChem CID: 44365325

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Dipeptides Isoleucine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Beta amino acids and derivatives Pyrrolidine carboxylic acids N-acylpyrrolidines Dicarboxylic acids and derivatives N-acyl amines Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Alkanesulfonic acids Amino acids Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Alkylthiols Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hybrid peptide - Alpha-dipeptide - Isoleucine or derivatives - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Beta amino acid or derivatives - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Alkanesulfonic acid - Tertiary carboxylic acid amide - Sulfonyl - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Alkylthiol - Organic zwitterion - Organic oxide - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Amine - Organosulfur compound - Primary amine - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ENPEP Tchem Glutamyl aminopeptidase (2 Activities)

Discover Target: ENPEP

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MME Tclin Neprilysin (838 Activities)

Discover Target: MME

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ANPEP Tchem Aminopeptidase N (863 Activities)

Discover Target: ANPEP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action