(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide - Moligand™ , Inhibitor of Aminopeptidase A, CAS No.S609487, Inhibitor of Aminopeptidase A

CAS: S609487 Cat. No.: S609487 PubChem CID: 44309732

GRADE & PURITY Moligand™

Synonyms

compound 9

Storage

Room temperature

Specifications

Synonyms

compound 9

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Aminopeptidase A

Names and Identifiers

• Canonical Smiles: O[C@H](C(=O)NCCC(C)C)[C@@H](Cc1ccccc1)N
• IUPAC Name: (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide
• InChIKey: WABAJXKDQWZIOJ-KGLIPLIRSA-N
• INCHI: 1S/C15H24N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
• Isomeric SMILES: CC(C)CCNC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O
• PubChem CID: 44309732

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Amphetamines and derivatives Aralkylamines N-acyl amines Monosaccharides Secondary carboxylic acid amides Secondary alcohols Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Beta amino acid or derivatives - Amphetamine or derivatives - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Monosaccharide - N-acyl-amine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Alcohol - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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)

DNPEP Tchem Aspartyl aminopeptidase (2 Activities)

Discover Target: DNPEP

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

LAP3 Tchem Cytosol aminopeptidase (1 Activities)

Discover Target: LAP3

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

ANPEP Tchem Aminopeptidase N (863 Activities)

Discover Target: ANPEP

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

DNPEP Tchem Aspartyl aminopeptidase (9 Activities)

Discover Target: DNPEP

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

Associated Targets(non-human)

Rnpep Aminopeptidase B (89 Activities)

Discover Target: Rnpep

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

Mechanisms of Action