(2S)-2-[[(2S)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid - Moligand™ , Inhibitor of Aminopeptidase N;Inhibitor of Leukotriene A 4 hydrolase;Inhibitor of Neutral endopeptidase, CAS No.S608847, Inhibitor of Aminopeptidase N;Inhibitor of Leukotriene A 4 hydrolase;Inhibitor of Neutral endopeptidase

CAS: S608847 Cat. No.: S608847 PubChem CID: 5478838

GRADE & PURITY Moligand™

Synonyms

compound 1a

Storage

Room temperature

Specifications

Synonyms

compound 1a

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Aminopeptidase N;Inhibitor of Leukotriene A 4 hydrolase;Inhibitor of Neutral endopeptidase

Names and Identifiers

• Canonical Smiles: C[C@@H](C(=O)O)NC(=O)[C@@H](CP(=O)([C@@H](N)C)O)Cc1ccc(cc1)c1ccccc1
• IUPAC Name: (2S)-2-[[(2S)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid
• InChIKey: CWJPVKSBGVPXRD-QMTMVMCOSA-N
• INCHI: 1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15+,19+/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)CP(=O)([C@H](C)N)O
• PubChem CID: 5478838

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 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids
                • Level9 N-acyl-L-alpha-amino acids

• 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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
• Direct Parent: N-acyl-L-alpha-amino acids
• Alternative Parents: Biphenyls and derivatives Alanine and derivatives Fatty amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyl-l-alpha-amino acid - Biphenyl - Alanine or derivatives - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organophosphorus compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-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)

MME Tclin Neprilysin (1 Activities)

Discover Target: MME

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

LTA4H Tchem Leukotriene A-4 hydrolase (1 Activities)

Discover Target: LTA4H

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

ANPEP Tchem Aminopeptidase N (1 Activities)

Discover Target: ANPEP

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